SCHEMBL14547452

SCHEMBL14547452

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

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 19/20 0.49
▸ PPARA Q07869 6/20 0.47
▸ PPARG P37231 2/20 0.46
▸ SCN9A Q15858 1/20 0.44

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
SCHEMBL4794262 0.93 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL4795063 0.92 PPARD (0.58) PPARDPPARAPPARG
SCHEMBL14547454 0.91 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL14547563 0.91 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL14547559 0.90 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL4794153 0.90 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL4794218 0.88 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL4792721 0.87 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL4791590 0.86 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL4795396 0.84 PPARD (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007036727-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II INPHARMATICA LIMITED (GB) 2007-04-05 — — WO disclosed
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