SCHEMBL7348662

SCHEMBL7348662

NN=Cc1ccc(CCCCC(=O)NC(CCS(=O)(=O)Cc2ccccc2)CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.50
ITGA2B P08514 4/20 0.50
PLA2G2A P14555 2/20 0.48
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 2/20 0.37
ALOX5 P09917 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL7357417 0.87 ITGB3 (0.46) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7381804 0.85 ITGB3 (0.67) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7348653 0.84 ITGB3 (0.72) ITGB3ITGA2BPLA2G2A
SCHEMBL7348963 0.82 ITGB3 (0.50) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7349409 0.82 ITGB3 (0.48) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7389607 0.81 ITGB3 (0.50) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7350097 0.81 ITGB3 (0.46) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7350231 0.80 PLA2G2A (0.68) ITGB3ITGA2BPLA2G2ACTSGCMA1
SCHEMBL7378676 0.79 ITGB3 (0.49) ITGB3ITGA2BPLA2G2AKMT2ACTSG
SCHEMBL7350495 0.79 ITGB3 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO claimed
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO disclosed