SCHEMBL7389607

SCHEMBL7389607

CCC(CC(=O)O)NC(=O)CCCCc1ccc(C=NN)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.50
ITGA2B P08514 6/20 0.50
PLA2G2A P14555 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
S1PR2 O95136 2/20 0.39
S1PR1 P21453 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MMEL1 Q495T6 1/20 0.38
CYP4Z1 Q86W10 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MME P08473 3/20 0.37
S1PR4 O95977 1/20 0.37
S1PR3 Q99500 1/20 0.37
CTSG P08311 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
SCHEMBL7378676 0.89 ITGB3 (0.49) ITGB3ITGA2BPLA2G2ASMN1; SMN2ALDH1A1
SCHEMBL7381804 0.87 ITGB3 (0.67) ITGB3ITGA2BPLA2G2AMMEL1MME
SCHEMBL9473562 0.87 ENPP2 (0.42) ITGB3ITGA2BPLA2G2ASMN1; SMN2S1PR2
SCHEMBL7350097 0.86 ITGB3 (0.46) ITGB3ITGA2BPLA2G2ASMN1; SMN2S1PR2
SCHEMBL7357417 0.86 ITGB3 (0.46) ITGB3ITGA2BPLA2G2ASMN1; SMN2S1PR2
SCHEMBL7379875 0.86 ITGB3 (0.65) ITGB3ITGA2BPLA2G2ASMN1; SMN2ALDH1A1
SCHEMBL7386249 0.85 ITGB3 (0.54) ITGB3ITGA2BPLA2G2AALDH1A1MMEL1
SCHEMBL7350495 0.85 ITGB3 (0.45) ITGB3ITGA2BPLA2G2ASMN1; SMN2S1PR2
SCHEMBL7348963 0.83 ITGB3 (0.50) ITGB3ITGA2BPLA2G2ASMN1; SMN2CTSG
SCHEMBL7350231 0.83 PLA2G2A (0.68) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US claimed
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO claimed
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US disclosed
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO disclosed
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP disclosed