SCHEMBL6884640

SCHEMBL6884640

CNC(=O)C(Cc1ccc(Nc2ccc(S(=O)(=O)O)cc2)cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.55
CTSK P43235 5/20 0.55
BCL2 P10415 1/20 0.47
PTPRB P23467 2/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
MMP1 P03956 2/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
REN P00797 1/20 0.43
PSMB10 P40306 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
CA2 P00918 1/20 0.42
PPARA Q07869 1/20 0.41

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
SCHEMBL6884631 0.90 CTSS (0.48) CTSSCTSKBCL2PTPRBCTSL
SCHEMBL13224680 0.87 PTPRB (0.58) CTSSCTSKPTPRB
SCHEMBL3478075 0.87 PTPRB (0.58) CTSSCTSKPTPRB
SCHEMBL5188769 0.85 CTSS (0.72) CTSSCTSKBCL2CTSLCTSB
SCHEMBL7273440 0.85 CTSS (0.72) CTSSCTSKBCL2CTSLCTSB
SCHEMBL5188418 0.85 CTSS (0.72) CTSSCTSKBCL2CTSLCTSB
SCHEMBL3477448 0.82 CTSS (0.62) CTSSCTSKBCL2CTSLCTSB
SCHEMBL6800348 0.81 PTPRB (0.56) CTSSCTSKPTPRBREN
SCHEMBL6800353 0.81 PTPRB (0.56) CTSSCTSKPTPRBREN
SCHEMBL3477645 0.81 CTSS (0.58) CTSSCTSKBCL2CTSLCTSB

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
US-20040077065-A1 Three dimensional coordinates of HPTPbeta THE PROCTER & GAMBLE COMPANY 2004-04-22 US disclosed