SCHEMBL7348963

SCHEMBL7348963

NN=Cc1ccc(CCCCC(=O)NC(CC(=O)O)CS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.50
ITGA2B P08514 4/20 0.50
PLA2G2A P14555 2/20 0.48
HDAC1 Q13547 7/20 0.41
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL7351149 0.92 ITGB3 (0.43) ITGB3ITGA2BPLA2G2AMMP2
SCHEMBL7353690 0.92 ITGB3 (0.43) ITGB3ITGA2BPLA2G2AMMP2MMP9
SCHEMBL7353849 0.89 ITGB3 (0.46) ITGB3ITGA2BPLA2G2AHDAC1HDAC2
SCHEMBL8971461 0.89 ITGB3 (0.40) ITGB3ITGA2BPLA2G2AHDAC1HDAC2
SCHEMBL7348280 0.87 ITGB3 (0.46) ITGB3ITGA2BPLA2G2AHDAC1HDAC2
SCHEMBL7381804 0.86 ITGB3 (0.67) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7347557 0.84 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7389607 0.83 ITGB3 (0.50) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7348953 0.83 ITGB3 (0.73) ITGB3ITGA2BPLA2G2AHDAC1HDAC8
SCHEMBL7350231 0.82 PLA2G2A (0.68) ITGB3ITGA2BPLA2G2AHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543425-A ANTIAGGLOMERANTS G. D. SEARLE & CO. (US) 1996-08-06 US claimed
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