SCHEMBL7387478

SCHEMBL7387478

CCOC(=O)CC(NC(=O)CCCCc1ccc(C(=N)N)cc1)c1ccc(OC)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.49
ITGA2B P08514 8/20 0.49
F2 P00734 4/20 0.46
F10 P00742 4/20 0.46
PRSS1 P07477 2/20 0.44
CAPN1 P07384 2/20 0.42
TMPRSS15 P98073 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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 0.90 ITGB3 (0.62) ITGB3ITGA2BPRSS1CAPN1TMPRSS15
SCHEMBL7384578 0.86 ITGB3 (0.57) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7385249 0.85 ITGB3 (0.56) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7386546 0.83 ITGB3 (0.61) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7385494 0.83 ITGB3 (0.63) ITGB3ITGA2BPRSS1CAPN1TMPRSS15
SCHEMBL7384448 0.81 ITGB3 (0.62) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7386054 0.80 ITGB3 (0.76) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7382678 0.80 ITGB3 (0.58) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7380002 0.79 ITGB3 (0.63) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7386153 0.79 ITGB3 (0.66) ITGB3ITGA2BF2F10PRSS1

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