SCHEMBL4845562

SCHEMBL4845562

CCc1cc(SC(c2ccc(C(F)(F)F)cc2)c2n[nH]c3ccccc23)ccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.39
PPARA Q07869 2/20 0.34
ACLY P53396 1/20 0.34
OPRK1 P41145 1/20 0.33

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
SCHEMBL4792890 0.87 PTPN1 (0.40) PPARDOPRK1
SCHEMBL4794264 0.83 PPARD (0.44) PPARDPPARA
SCHEMBL4792988 0.82 PPARD (0.41) PPARDPPARA
SCHEMBL4794817 0.82 MAPT (0.38) PPARD
SCHEMBL4794219 0.81 PPARD (0.43) PPARDPPARA
SCHEMBL4792723 0.81 PPARD (0.43) PPARDPPARA
SCHEMBL4794224 0.81 PPARD (0.59) PPARDPPARA
SCHEMBL4791592 0.81 PPARD (0.45) PPARD
SCHEMBL4794155 0.80 PPARD (0.42) PPARDPPARA
SCHEMBL4793825 0.77 TRPV1 (0.33) PPARDPPARA

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