SCHEMBL7347375

SCHEMBL7347375

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
POLB P06746 3/20 0.42
MAPT P10636 4/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LTA4H P09960 1/20 0.38

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 0.89 POLB (0.44) GAAPOLBMAPTLMNAHPGD
SCHEMBL7347879 0.86 LMNA (0.44) GAAMAPTLMNAKMT2AHTT
SCHEMBL7390990 0.86 CASR (0.41) GAAPOLBMAPTLMNAKMT2A
SCHEMBL7353573 0.86 POLB (0.40) GAAPOLBMAPTLMNAHPGD
SCHEMBL6980785 0.80 CA12 (0.59) POLBMAPTHPGDKMT2AHTT
SCHEMBL7347503 0.80 ITGB3 (0.60) GAAPOLBMAPTLMNAKMT2A
SCHEMBL7423126 0.80 POLB (0.45) POLBMAPTHPGDKMT2AHTT
SCHEMBL7348956 0.79 LMNA (0.44) GAAMAPTLMNAKMT2AITGB3
Hydrochloric Acid SCHEMBL6983894 0.79 CA12 (0.57) POLBMAPTHPGDKMT2AHTT
SCHEMBL7348197 0.78 ITGB3 (0.63) POLBMAPTCA12CA1CA2

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