SCHEMBL7353182

SCHEMBL7353182

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.51
ITGA2B P08514 8/20 0.51
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7353558 0.87 ITGB3 (0.65) ITGB3ITGA2BMEN1KMT2APOLB
SCHEMBL7348958 0.85 ITGB3 (0.51) ITGB3ITGA2BHTTMEN1KMT2A
SCHEMBL8072322 0.85 ITGB3 (0.44) ITGB3ITGA2BHTTMEN1KMT2A
SCHEMBL7346612 0.84 ITGB3 (0.50) ITGB3ITGA2BHTTMEN1KMT2A
SCHEMBL7353167 0.83 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL9558512 0.83 LMNA (0.43) HTTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9559149 0.83 LMNA (0.41) HTTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7349536 0.82 ITGB3 (0.48) ITGB3ITGA2BHTTMEN1KMT2A
SCHEMBL7347440 0.82 ITGB3 (0.52) ITGB3ITGA2BHTTMEN1KMT2A
SCHEMBL7346544 0.82 ITGB3 (0.50) ITGB3ITGA2BHTTMEN1KMT2A

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