SCHEMBL8690141

SCHEMBL8690141

N=C(N)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC(C(=O)C(=O)O)CC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.62
ITGA2B P08514 9/20 0.62
CYP51A1 Q16850 1/20 0.42
ACE P12821 1/20 0.40
F10 P00742 2/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CAPN1 P07384 1/20 0.39
CCKBR P32239 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
SCHEMBL8650015 0.89 ITGB3 (0.73) ITGB3ITGA2BACEF2PLG
SCHEMBL7285135 0.87 ITGB3 (0.82) ITGB3ITGA2BCYP51A1F2PLG
SCHEMBL8689992 0.82 ITGB3 (0.57) ITGB3ITGA2BF10F2
SCHEMBL7302621 0.81 ITGB3 (0.53) ITGB3ITGA2BCYP51A1F10F2
SCHEMBL7302642 0.80 CYP51A1 (0.54) ITGB3ITGA2BCYP51A1F10F2
SCHEMBL6099449 0.79 ITGB3 (0.75) ITGB3ITGA2BCYP51A1F2PLG
SCHEMBL4425018 0.79 ITGB3 (0.75) ITGB3ITGA2BCYP51A1F2PLG
SCHEMBL7293550 0.78 ITGB3 (0.68) ITGB3ITGA2BCYP51A1F10F2
SCHEMBL7274759 0.78 ITGB3 (0.68) ITGB3ITGA2BCYP51A1F10F2
SCHEMBL8881333 0.77 ITGB3 (0.65) ITGB3ITGA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5747522-A ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS; ANTITUMOR AGENTS HOFFMAN-LA ROCHE INC. (US) 1998-05-05 US disclosed
US-5670515-A TREATMENT OF THROMBOSIS, STROKE, CARDIAC INFARCT, INFLAMMATION, AND ARTERIOSCLEROSIS; ANTITUMOR AGENTS, WOUND HEALING AGENTS HOFFMANN-LA ROCHE INC. (US) 1997-09-23 US disclosed