SCHEMBL7353190

SCHEMBL7353190

CCC(C(=O)O)C(NC(=O)CCC(=O)Nc1ccc(C=NN)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LTA4H P09960 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8072019 0.90 ITGB3 (0.47) POLBMAPTHPGDALDH1A1ITGB3
SCHEMBL7346619 0.85 ITGB3 (0.41) POLBMAPTHPGDALDH1A1ITGB3
SCHEMBL9558530 0.83 MAPT (0.38) MAPTHPGDALDH1A1KMT2AHTT
SCHEMBL9559148 0.83 MAPT (0.44) POLBMAPTHPGDALDH1A1ITGB3
SCHEMBL9440466 0.82 ITGB3 (0.41) POLBMAPTHPGDALDH1A1ITGB3
SCHEMBL7544637 0.82 ITGB3 (0.42) POLBMAPTHPGDALDH1A1ITGB3
SCHEMBL9559156 0.82 MAPT (0.37) MAPTHPGDALDH1A1KMT2ANPSR1
SCHEMBL9559016 0.81 GAA (0.42) POLBMAPTALDH1A1HTTNPSR1
SCHEMBL7349677 0.81 CA12 (0.42) POLBMAPTHPGDALDH1A1KMT2A
SCHEMBL9559013 0.81 GAA (0.44) POLBMAPTALDH1A1HTTSMN1; SMN2

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 7 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
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
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