SCHEMBL7350231

SCHEMBL7350231

NN=Cc1ccc(CCCCC(=O)NC(CSc2ccccc2)CC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.68
ITGB3 P05106 4/20 0.50
ITGA2B P08514 4/20 0.50
PLA2G10 O15496 3/20 0.47
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
HDAC2 Q92769 3/20 0.37
HDAC1 Q13547 3/20 0.37
ALOX5 P09917 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7355679 0.92 PLA2G2A (0.62) PLA2G2AITGB3ITGA2BPLA2G10
SCHEMBL7381804 0.86 ITGB3 (0.67) PLA2G2AITGB3ITGA2BCTSGCMA1
SCHEMBL7389607 0.83 ITGB3 (0.50) PLA2G2AITGB3ITGA2BCTSGCMA1
SCHEMBL7348963 0.82 ITGB3 (0.50) PLA2G2AITGB3ITGA2BCTSGCMA1
SCHEMBL7350222 0.82 ITGB3 (0.74) PLA2G2AITGB3ITGA2BPLA2G10
SCHEMBL7378676 0.82 ITGB3 (0.49) PLA2G2AITGB3ITGA2BPLA2G10CTSG
SCHEMBL7350097 0.81 ITGB3 (0.46) PLA2G2AITGB3ITGA2BCTSGCMA1
SCHEMBL7349549 0.81 ITGB3 (0.48) PLA2G2AITGB3ITGA2BCTSGCMA1
SCHEMBL7384204 0.81 ITGB3 (0.67) PLA2G2AITGB3ITGA2BCTSGCMA1
SCHEMBL7348662 0.80 ITGB3 (0.50) PLA2G2AITGB3ITGA2BCTSGCMA1

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