SCHEMBL4614558

SCHEMBL4614558

Cc1cc(Oc2cccc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.64
PPARG P37231 10/20 0.59
PPARD Q03181 10/20 0.59
PPARA Q07869 10/20 0.59
HTR2C P28335 1/20 0.48
LSS P48449 1/20 0.48

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
SCHEMBL4614555 0.90 MAPK14 (0.64) MAPK14PPARGPPARDPPARAHTR2C
SCHEMBL4616068 0.87 MMP13 (0.57) MAPK14
SCHEMBL5416553 0.86 PPARG (0.63) MAPK14PPARGPPARDPPARA
SCHEMBL4615231 0.84 PPARA (0.73) MAPK14PPARGPPARDPPARA
SCHEMBL4616353 0.84 PPARD (0.64) MAPK14PPARGPPARDPPARA
SCHEMBL5420067 0.84 PPARG (0.85) MAPK14PPARGPPARDPPARA
SCHEMBL26625404 0.82 MMP13 (0.66) MAPK14LSS
SCHEMBL31060682 0.78 MAPK14 (1.00) MAPK14PPARGPPARDPPARALSS
SCHEMBL26625342 0.77 HDAC1 (0.63) MAPK14LSS
SCHEMBL4035947 0.77 RAB9A (0.65) MAPK14

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
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed