SCHEMBL14465384

SCHEMBL14465384

CCCc1c(OCCCn2ccc3cc(CCO)ccc32)ccc2c(C(F)(F)F)noc12

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.83
PPARA Q07869 11/20 0.83
PPARD Q03181 11/20 0.83
NR1H2 P55055 7/20 0.83
NR1H3 Q13133 7/20 0.83

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
SCHEMBL14465320 0.94 PPARG (0.83) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL5943621 0.91 PPARG (1.00) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL5008698 0.90 PPARA (1.00) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL14465583 0.90 PPARG (0.77) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL14465317 0.89 PPARG (0.77) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL14465301 0.88 PPARG (0.86) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL5336258 0.86 PPARA (1.00) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL14465571 0.86 PPARA (0.75) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL14465561 0.85 PPARA (0.76) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL5012506 0.84 PPARG (0.83) PPARGPPARAPPARDNR1H2NR1H3

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-2007081335-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO., INC. (US) 2007-07-19 WO disclosed