SCHEMBL4794153

SCHEMBL4794153

Cc1cc(SCc2nn(-c3ccc(C(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc23)ccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 20/20 0.49
▸ PPARA Q07869 6/20 0.49
▸ PPARG P37231 2/20 0.45

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
SCHEMBL14547563 0.93 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL4793241 0.92 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL4794262 0.91 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL14547452 0.90 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL14547454 0.89 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL4792986 0.88 TEAD1 (0.49) PPARDPPARAPPARG
SCHEMBL14547559 0.88 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL4794218 0.86 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL4793067 0.85 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL4792721 0.85 PPARD (0.48) PPARDPPARAPPARG

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
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