SCHEMBL4794264

SCHEMBL4794264

Cc1ccc2[nH]nc(C(Sc3ccc(OCC(=O)OC(C)(C)C)c(C)c3)c3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.44
PPARA Q07869 4/20 0.40

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
SCHEMBL4794155 0.92 PPARD (0.42) PPARDPPARA
SCHEMBL4795399 0.90 PPARD (0.55) PPARDPPARA
SCHEMBL4794219 0.90 PPARD (0.43) PPARDPPARA
SCHEMBL4792723 0.88 PPARD (0.43) PPARDPPARA
SCHEMBL4791592 0.86 PPARD (0.45) PPARD
SCHEMBL4795066 0.84 PPARD (0.53) PPARDPPARA
SCHEMBL4845562 0.83 PPARD (0.39) PPARDPPARA
SCHEMBL4792988 0.83 PPARD (0.41) PPARDPPARA
SCHEMBL4793068 0.82 PPARD (0.53) PPARD
SCHEMBL4794817 0.82 MAPT (0.38) PPARD

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
EP-1937647-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036727-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II INPHARMATICA LIMITED (GB) 2007-04-05 WO disclosed