SCHEMBL7350894

SCHEMBL7350894

COC(=O)CC(NC(=O)CCC(=O)Nc1ccc(C=NN)cc1)C(C)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
GAA P10253 1/20 0.37
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
CTSL P07711 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN13 Q12923 1/20 0.36

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
SCHEMBL7349216 0.92 ITGB3 (0.46) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL7350128 0.85 ALDH1A1 (0.45) ALDH1A1HTTHPGDMAPTMEN1
SCHEMBL7354347 0.81 ITGB3 (0.39) ALDH1A1HTTHPGDMAPTMEN1
SCHEMBL7350883 0.81 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL9558438 0.79 ITGB3 (0.38) ALDH1A1HTTHPGDMAPTMEN1
SCHEMBL7346612 0.78 ITGB3 (0.50) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL7348197 0.78 ITGB3 (0.63) MAPTRAB9AITGB3ITGA2BPOLB
SCHEMBL9558500 0.77 ITGB3 (0.45) HTTHPGDMAPTKMT2AITGB3
SCHEMBL7348958 0.77 ITGB3 (0.51) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL7345488 0.75 ITGB3 (0.54) HTTHPGDMAPTMEN1KMT2A

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