SCHEMBL7344231

SCHEMBL7344231

COC(=O)C(C)C(N)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 1/20 0.37
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ANPEP P15144 1/20 0.35
CA14 Q9ULX7 3/20 0.35

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
SCHEMBL16624815 0.78 SMN1; SMN2 (0.38) SMN1; SMN2CA14CACNA2D1CA12CACNB3
SCHEMBL25432886 0.78 CA1 (0.41) SMN1; SMN2CA14CA12
SCHEMBL14574460 0.77
SCHEMBL22925733 0.77
SCHEMBL5676934 0.77
SCHEMBL10714698 0.77 ABCB1 (0.39) SMN1; SMN2CA14CACNA2D1CA12CACNB3
SCHEMBL996039 0.76 KMT2A (0.37) BHMTSMN1; SMN2KMT2AGABRR1LMNA
SCHEMBL416894 0.76 KMT2A (0.37) BHMTSMN1; SMN2KMT2AGABRR1LMNA
SCHEMBL6259101 0.76 KMT2A (0.37) BHMTSMN1; SMN2KMT2AGABRR1LMNA
SCHEMBL8472485 0.75 TDP1 (0.52) SMN1; SMN2CA14CACNA2D1CACNB3CACNA1C

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 13 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
WO-1999054321-A1 SUBSTITUTED DIAMINES AND THEIR USE AS CELL ADHESION INHIBITORS AVENTIS PHARMA LIMITED (GB) 1999-10-28 WO disclosed
US-5973003-A TREATMENT OF THROMBOSIS, STROKE, MYOCARDIAL INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS G. D. SEARLE & CO. (US) 1999-10-26 US disclosed
US-5886208-A Substituted B-amino acid derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1999-03-23 US disclosed
US-5703125-A MELT BLEND OF SOAP, SURFACTANT AND SOLVENT G. D. SEARLE & CO. (US) 1997-12-30 US disclosed
US-5625093-A Substituted β-amino acid derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1997-04-29 US disclosed
EP-0614360-B1 SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-03-19 EP disclosed
WO-1996037464-A1 SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-11-28 WO 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