SCHEMBL7385494

SCHEMBL7385494

COc1ccc(OC)c(C(CC(=O)O)NC(=O)CCCCc2ccc(C(=N)N)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.63
ITGA2B P08514 12/20 0.63
PRSS1 P07477 2/20 0.47
TMPRSS15 P98073 2/20 0.47
CAPN1 P07384 1/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
ITGAV P06756 1/20 0.42
ITGB5 P18084 1/20 0.42

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
SCHEMBL7388803 0.94 ITGB3 (0.62) ITGB3ITGA2BPRSS1TMPRSS15CAPN1
SCHEMBL7384448 0.90 ITGB3 (0.62) ITGB3ITGA2BPRSS1TMPRSS15ALDH1A1
SCHEMBL7388477 0.87 ITGB3 (0.71) ITGB3ITGA2BPOLBITGAVITGB5
SCHEMBL7384003 0.86 ITGB3 (0.76) ITGB3ITGA2BPRSS1TMPRSS15ALDH1A1
SCHEMBL7388720 0.86 ITGB3 (0.73) ITGB3ITGA2BPRSS1TMPRSS15ALDH1A1
SCHEMBL7385504 0.84 ITGB3 (0.47) ITGB3ITGA2BCAPN1POLBALDH1A1
SCHEMBL7387478 0.83 ITGB3 (0.49) ITGB3ITGA2BPRSS1TMPRSS15CAPN1
SCHEMBL7389640 0.81 ITGB3 (0.74) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7386244 0.81 ITGB3 (0.79) ITGB3ITGA2BPRSS1TMPRSS15ALDH1A1
SCHEMBL7380913 0.80 ITGB3 (0.91) ITGB3ITGA2BPRSS1TMPRSS15

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