SCL compounds were systematically listed as ligands from published paper mining [26, 27], TCMID (http://www.megabionet.org/tcmid/) [28], SymMap (https://www.symmap.org/detail/SMHB00008) [29], and TCMSP databases (http://tcmspw.com/tcmsp.php) [30]. All compound structures from PubChem (https://pubchem.ncbi.nlm.nih.gov/) [31] were filtered by utilizing the “Lipinski rules” of the Molinspiration database (https://www.molinspiration.com/cgi-bin/properties) [32]. In the field of drug discovery, the Lipinski rules were used to screen the compound database to eliminate molecules that were unsuitable for drug use, including n·OHNH ≤ 5, n·ON ≤ 10, MW ≤ 500, and miLogP ≤5. Compounds that met the Lipinski rules and others that did not but possessed good bioactivity were used in systems pharmacology and molecular docking [33, 34]. The 2D structures (.sdf format) of all compounds were generated by ChemBioOffice2014 [35].

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