SCHEMBL4622111

SCHEMBL4622111

Cc1cc(OC(C)(C)C(=O)O)c(C)cc1OCCSc1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.52
PPARA Q07869 17/20 0.52
PPARG P37231 9/20 0.52

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
SCHEMBL13774949 0.82 PPARD (0.52) PPARDPPARAPPARG
SCHEMBL4179705 0.82 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL4180951 0.78 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL2906603 0.75 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL4194429 0.75 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL2901181 0.75 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL4622108 0.74 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL4187098 0.74 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL2900976 0.74 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL2901332 0.74 PPARD (0.49) 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-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP claimed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO claimed