SCHEMBL7345314

SCHEMBL7345314

NC(CC(=O)O)CS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.46
MMP13 P45452 1/20 0.44
PSIP1 O75475 1/20 0.44
MMP2 P08253 1/20 0.43
MMP7 P09237 1/20 0.43
MMP14 P50281 1/20 0.43
KYNU Q16719 2/20 0.41
MAPT P10636 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
SCHEMBL27852421 0.81 HSD11B1 (0.47) HSD11B1PSIP1MMP2MMP7MMP14
SCHEMBL5074951 0.80 CYP1A2 (0.51) HSD11B1MMP13PSIP1MMP2MMP7
SCHEMBL7746226 0.79 HSD11B1 (0.44) HSD11B1MMP13PSIP1
SCHEMBL27767605 0.78 KYNU (0.65) HSD11B1MMP13PSIP1KYNU
SCHEMBL9064967 0.78 KYNU (0.65) HSD11B1MMP13PSIP1KYNU
SCHEMBL7674078 0.78 LMNA (0.42) HSD11B1MMP13PSIP1
SCHEMBL8909238 0.77 GABBR2 (0.56) HSD11B1PSIP1MMP2MMP7MMP14
SCHEMBL27838489 0.77 HSD11B1 (0.50) HSD11B1MMP13PSIP1KYNUMAPT
SCHEMBL7667735 0.75 CYP1A2 (0.36) HSD11B1MMP13
SCHEMBL7671486 0.75 HSD11B1 (0.41) HSD11B1MMP13MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542708-B1 Substituted beta-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2001-05-30 EP disclosed
US-5973003-A TREATMENT OF THROMBOSIS, STROKE, MYOCARDIAL INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS G. D. SEARLE & CO. (US) 1999-10-26 US disclosed
US-5703125-A MELT BLEND OF SOAP, SURFACTANT AND SOLVENT G. D. SEARLE & CO. (US) 1997-12-30 US disclosed
EP-0614360-B1 SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-03-19 EP disclosed
EP-0614360-A1 SUBSTITUTED -g(b)-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1994-09-14 EP disclosed
US-5344957-A Amidinoiphenyl-substituted G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
US-5239113-A Anticoagulants MONSANTO COMPANY (US) 1993-08-24 US disclosed
EP-0542708-A1 Substituted B-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-05-19 EP disclosed
WO-1993007867-A1 SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed