SCHEMBL8010106

SCHEMBL8010106

CN(CCOc1ccc(C[C@H](OCC(F)(F)F)C(=O)N2C(=O)OCC2Cc2ccccc2)cc1)c1nc2ccccc2o1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.70
PPARA Q07869 1/20 0.58

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
SCHEMBL8013752 0.91 PPARG (0.60) PPARGPPARA
SCHEMBL7998098 0.88 PPARG (0.56) PPARGPPARA
SCHEMBL389036 0.83 PPARG (1.00) PPARGPPARA
SCHEMBL30475600 0.83 PPARG (1.00) PPARGPPARA
SCHEMBL389037 0.83 PPARG (1.00) PPARGPPARA
SCHEMBL8007402 0.82 PPARG (0.86) PPARGPPARA
SCHEMBL8009934 0.80 PPARG (0.49) PPARGPPARA
SCHEMBL7997939 0.80 PPARG (0.84) PPARGPPARA
SCHEMBL7815152 0.80 PPARG (0.84) PPARGPPARA
SCHEMBL13891652 0.77 PPARG (0.79) PPARGPPARA

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
US-6166049-A Use of an antagonist of PPARα and PPARγ for the treatment of syndrome X SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-26 US disclosed