SCHEMBL28630396

SCHEMBL28630396

CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.72
CTSK P43235 5/20 0.72
ACE P12821 2/20 0.59
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
CTSL P07711 1/20 0.58
CTSB P07858 1/20 0.58
MME P08473 3/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
PPARA Q07869 2/20 0.54
PTPN1 P18031 1/20 0.53
FOLH1 Q04609 1/20 0.52
PPARG P37231 1/20 0.52
REN P00797 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29824479 0.96 CTSS (0.68) CTSSCTSKACEITGB3ITGA2B
SCHEMBL231980 0.95 CTSS (0.71) CTSSCTSKACEITGB3ITGA2B
SCHEMBL1310547 0.95 CTSS (0.71) CTSSCTSKACEITGB3ITGA2B
SCHEMBL231981 0.95 CTSS (0.71) CTSSCTSKACEITGB3ITGA2B
Benzene SCHEMBL3925161 0.93 CTSS (0.70) CTSSCTSKACEITGB3ITGA2B
Benzene SCHEMBL6474758 0.93 CTSS (0.70) CTSSCTSKACEITGB3ITGA2B
SCHEMBL30645713 0.93 CTSS (0.67) CTSSCTSKACEITGB3ITGA2B
SCHEMBL23069525 0.92 CTSS (0.63) CTSSCTSKACEITGB3ITGA2B
SCHEMBL3735628 0.92 CTSS (0.63) CTSSCTSKACEITGB3ITGA2B
SCHEMBL23069526 0.92 CTSS (0.63) CTSSCTSKACEITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365991-A Polymer compositions comprising biologically derived compounds 齐默尔根公司 2021-09-07 CN disclosed