SCHEMBL7355679

SCHEMBL7355679

NN=Cc1ccc(CCCCC(=O)NC(CSc2ccc(F)cc2)CC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.62
ITGB3 P05106 4/20 0.43
ITGA2B P08514 4/20 0.43
MME P08473 3/20 0.42
PLA2G10 O15496 3/20 0.41
LMNA P02545 1/20 0.36
MMEL1 Q495T6 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL7350231 0.92 PLA2G2A (0.68) PLA2G2AITGB3ITGA2BPLA2G10
SCHEMBL7353690 0.83 ITGB3 (0.43) PLA2G2AITGB3ITGA2BMMELMNA
SCHEMBL7355665 0.83 ITGB3 (0.64) PLA2G2AITGB3ITGA2BMMEPLA2G10
SCHEMBL7388743 0.82 ITGB3 (0.55) PLA2G2AITGB3ITGA2BMMELMNA
SCHEMBL7389607 0.81 ITGB3 (0.50) PLA2G2AITGB3ITGA2BMMEMMEL1
SCHEMBL7381804 0.79 ITGB3 (0.67) PLA2G2AITGB3ITGA2BMMEMMEL1
SCHEMBL7378676 0.79 ITGB3 (0.49) PLA2G2AITGB3ITGA2BPLA2G10LMNA
SCHEMBL7350097 0.79 ITGB3 (0.46) PLA2G2AITGB3ITGA2BMME
SCHEMBL7357417 0.77 ITGB3 (0.46) PLA2G2AITGB3ITGA2BMME
SCHEMBL7379875 0.77 ITGB3 (0.65) PLA2G2AITGB3ITGA2B

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