SCHEMBL7378671

SCHEMBL7378671

CC(C)CC(CC(=O)O)NC(=O)CCCCc1ccc(C(=N)N)cc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.76
ITGA2B P08514 17/20 0.76
PLA2G2A P14555 1/20 0.47
ST14 Q9Y5Y6 1/20 0.45
PRSS1 P07477 1/20 0.43
TMPRSS15 P98073 1/20 0.43

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
SCHEMBL7389600 0.89 ITGB3 (0.76) ITGB3ITGA2BPLA2G2A
SCHEMBL7380948 0.86 ITGB3 (0.60) ITGB3ITGA2BST14PRSS1
SCHEMBL7379869 0.86 ITGB3 (1.00) ITGB3ITGA2BST14PRSS1TMPRSS15
SCHEMBL7379987 0.86 ITGB3 (1.00) ITGB3ITGA2BST14PRSS1TMPRSS15
SCHEMBL7381799 0.84 ITGB3 (1.00) ITGB3ITGA2BPLA2G2A
SCHEMBL7387468 0.84 ITGB3 (0.84) ITGB3ITGA2BPLA2G2A
SCHEMBL7381387 0.84 ITGB3 (0.84) ITGB3ITGA2BPLA2G2A
SCHEMBL7350092 0.84 ITGB3 (0.69) ITGB3ITGA2BPLA2G2A
SCHEMBL9643608 0.83 PLA2G2A (0.61) ITGB3ITGA2BPLA2G2A
SCHEMBL9643613 0.83 PLA2G2A (0.61) ITGB3ITGA2BPLA2G2A

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