SCHEMBL9251855

SCHEMBL9251855

Cc1cc(-c2nc(-c3ccc(C(=N)N)cc3)c[nH]2)ccc1OCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PPARA Q07869 5/20 0.42
PPARG P37231 2/20 0.40
GRK6 P43250 1/20 0.39
MPO P05164 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
SCHEMBL9251983 0.90 HTT (0.43) PPARDITGB3ITGA2BPPARAGRK6
SCHEMBL9254301 0.88 ITGB3 (0.42) PPARDITGB3ITGA2BMPO
SCHEMBL9254081 0.86 F10 (0.41) PPARDITGB3ITGA2BMPO
SCHEMBL9251475 0.85 ITGB3 (0.41) PPARDITGB3ITGA2BPPARAMPO
SCHEMBL9254458 0.83 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL9257540 0.79 PLAU (0.39) ITGB3ITGA2B
SCHEMBL9251306 0.77 HTT (0.37) ITGB3ITGA2B
SCHEMBL9256124 0.76 HTT (0.35) ITGB3ITGA2B
SCHEMBL9255039 0.76 S1PR1 (0.43) ITGB3ITGA2B
SCHEMBL9255915 0.74 ITGB3 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399636-A Bound to inorganic support, olefin polymerization catalysts PHILLIPS PETROLEUM COMPANY (US) 1995-03-21 US claimed
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed