SCHEMBL7353573

SCHEMBL7353573

CCC(CNC(=O)CCC(=O)Nc1ccc(C=NN)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.37
ITGB3 P05106 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
SCHEMBL7347966 0.87 POLB (0.44) POLBGAAMAPTHPGDKMT2A
SCHEMBL7347375 0.86 GAA (0.42) POLBGAAMAPTHPGDALDH1A1
SCHEMBL7348956 0.80 LMNA (0.44) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL7347879 0.80 LMNA (0.44) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL7353535 0.79 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL6980785 0.78 CA12 (0.59) POLBMAPTHPGDALDH1A1KDM4E
SCHEMBL7346619 0.78 ITGB3 (0.41) POLBMAPTHPGDALDH1A1KDM4E
SCHEMBL7347503 0.78 ITGB3 (0.60) POLBGAAMAPTALDH1A1KMT2A
SCHEMBL7423126 0.78 POLB (0.45) POLBMAPTHPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL6983894 0.77 CA12 (0.57) POLBMAPTHPGDALDH1A1KDM4E

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 8 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
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