SCHEMBL7350495

SCHEMBL7350495

C[S+]([O-])CCC(CC(=O)O)NC(=O)CCCCc1ccc(C=NN)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.45
ITGA2B P08514 9/20 0.45
PLA2G2A P14555 2/20 0.43
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MMEL1 Q495T6 1/20 0.33
MME P08473 1/20 0.33
CTSG P08311 1/20 0.33
CMA1 P23946 1/20 0.33

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
SCHEMBL7349409 0.89 ITGB3 (0.48) ITGB3ITGA2BPLA2G2ASMN1; SMN2CTSG
SCHEMBL7389607 0.85 ITGB3 (0.50) ITGB3ITGA2BPLA2G2AS1PR2S1PR1
SCHEMBL7357417 0.84 ITGB3 (0.46) ITGB3ITGA2BPLA2G2AS1PR2S1PR1
SCHEMBL7350097 0.84 ITGB3 (0.46) ITGB3ITGA2BPLA2G2AS1PR2S1PR1
SCHEMBL7378676 0.83 ITGB3 (0.49) ITGB3ITGA2BPLA2G2AALDH1A1SMN1; SMN2
SCHEMBL7379875 0.82 ITGB3 (0.65) ITGB3ITGA2BPLA2G2AALDH1A1SMN1; SMN2
SCHEMBL7350483 0.82 ITGB3 (0.69) ITGB3ITGA2BPLA2G2A
SCHEMBL7349549 0.82 ITGB3 (0.48) ITGB3ITGA2BPLA2G2ASMN1; SMN2MME
SCHEMBL7381804 0.81 ITGB3 (0.67) ITGB3ITGA2BPLA2G2AMMEL1MME
SCHEMBL7348662 0.79 ITGB3 (0.50) ITGB3ITGA2BPLA2G2ASMN1; SMN2CTSG

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