SCHEMBL7416828

SCHEMBL7416828

CC(C)(C(=O)O)C(CCN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.46
CPB2 Q96IY4 5/20 0.41
GSR P00390 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
HSPD1 P10809 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
ENPEP Q07075 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31

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
SCHEMBL1345131 0.82 GABRR1 (0.50) GABRR1CPB2GSRRNPEPALDH1A1
Hydrochloric Acid SCHEMBL23629771 0.80 GABRR1 (0.48) GABRR1CPB2GSRRNPEPALDH1A1
SCHEMBL28313256 0.77 ACACB (0.33) HSPD1BLMHSPE1
SCHEMBL27565769 0.77 ENPEP (0.37) RNPEPHSPD1BLMHSPE1ENPEP
SCHEMBL22412936 0.76 GABRR1 (0.48) GABRR1CPB2ALDH1A1KDM4EGABBR2
SCHEMBL30219802 0.75 FOLH1 (0.43) HSPD1BLMHSPE1ENPEP
SCHEMBL15821811 0.75 CA2 (0.38) HSPD1BLMHSPE1ENPEPALDH1A1
SCHEMBL10768989 0.74 HSPD1 (0.60) HSPD1BLMHSPE1MAPT
SCHEMBL10339180 0.73 GABRR1 (0.44) GABRR1CPB2GSRRNPEPBLM
SCHEMBL27674989 0.73 TSHR (0.33) HSPD1BLMHSPE1ENPEPALDH1A1

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
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
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