SCHEMBL7349409

SCHEMBL7349409

NN=Cc1ccc(CCCCC(=O)NC(CC[S+]([O-])Cc2ccccc2)CC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48
PLA2G2A P14555 2/20 0.46
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
ALOX5 P09917 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 1/20 0.34
EPHX1 P07099 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL7350495 0.89 ITGB3 (0.45) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7381804 0.84 ITGB3 (0.67) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7349392 0.84 ITGB3 (0.71) ITGB3ITGA2BPLA2G2A
SCHEMBL7349549 0.83 ITGB3 (0.48) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7348662 0.82 ITGB3 (0.50) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7389607 0.80 ITGB3 (0.50) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7357417 0.79 ITGB3 (0.46) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7350097 0.79 ITGB3 (0.46) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7350231 0.79 PLA2G2A (0.68) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7348963 0.79 ITGB3 (0.50) ITGB3ITGA2BPLA2G2ACTSGCMA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409939-A Phenyl amidine thio derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-04-25 US claimed
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO claimed
US-5543425-A ANTIAGGLOMERANTS G. D. SEARLE & CO. (US) 1996-08-06 US disclosed
US-5409939-A Phenyl amidine thio derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-04-25 US disclosed
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO disclosed