SCHEMBL7414342

SCHEMBL7414342

N=C(N)c1ccc(CCCCNC(=O)C(CC(=O)O)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.53
F2 P00734 3/20 0.52
PLG P00747 3/20 0.52
PLAU P00749 3/20 0.52
PLAT P00750 3/20 0.52
KLK8 O60259 2/20 0.52
F10 P00742 2/20 0.52
KLK4 Q9Y5K2 2/20 0.52
KLK1 P06870 1/20 0.52
KLK2 P20151 1/20 0.52
ITGB3 P05106 4/20 0.52
ITGA2B P08514 4/20 0.52
CA5A P35218 1/20 0.49
TPSAB1 Q15661 1/20 0.49
HTT P42858 1/20 0.48
TMPRSS11D O60235 1/20 0.48
CA2 P00918 1/20 0.48
FOLH1 Q04609 1/20 0.48
CA1 P00915 1/20 0.47

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
SCHEMBL7414348 1.00 CASP1 (0.53) CASP1F2PLGPLAUPLAT
SCHEMBL7414413 1.00 CASP1 (0.53) CASP1F2PLGPLAUPLAT
SCHEMBL7414657 0.93 FOLH1 (0.53) F2PLGPLAUPLATKLK8
SCHEMBL7417654 0.93 FOLH1 (0.53) F2PLGPLAUPLATKLK8
SCHEMBL7415256 0.93 FOLH1 (0.53) F2PLGPLAUPLATKLK8
SCHEMBL7417445 0.90 F2 (0.54) F2PLGPLAUPLATKLK8
SCHEMBL7417435 0.90 F2 (0.54) F2PLGPLAUPLATKLK8
SCHEMBL7425557 0.85 ITGB3 (0.62) F10ITGB3ITGA2B
SCHEMBL7425539 0.85 ITGB3 (0.62) F10ITGB3ITGA2B
SCHEMBL7417659 0.85 MEN1 (0.56) F2PLGPLAUPLATKLK8

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-5424334-A Peptide mimetic compounds useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-06-13 US claimed
WO-1993012074-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-06-24 WO claimed
US-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed
US-5424334-A Peptide mimetic compounds useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-06-13 US disclosed
WO-1993012074-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-06-24 WO disclosed