SCHEMBL10076908

SCHEMBL10076908

CCC(COc1ccc(C(C)CC(=O)O)cc1)COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.53
PPARG P37231 1/20 0.53
PPARD Q03181 6/20 0.51
FFAR4 Q5NUL3 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL10077238 0.91 FFAR1 (0.51) FFAR1PPARGPPARDFFAR4ALDH1A1
SCHEMBL2893180 0.89 FFAR1 (0.53) FFAR1PPARGPPARDFFAR4ALDH1A1
SCHEMBL2912655 0.85 FFAR1 (0.54) FFAR1PPARGPPARDFFAR4ALDH1A1
SCHEMBL10077727 0.84 FFAR1 (0.54) FFAR1PPARGFFAR4
SCHEMBL225122 0.83 FFAR1 (0.73) FFAR1
SCHEMBL12894897 0.83 FFAR1 (0.56) FFAR1PPARGFFAR4ALDH1A1
SCHEMBL10077240 0.82 FFAR1 (0.52) FFAR1PPARGFFAR4ALDH1A1TSHR
SCHEMBL10077233 0.81 FFAR1 (0.47) FFAR1PPARGPPARDFFAR4ALDH1A1
SCHEMBL13140278 0.80 FFAR1 (0.67) FFAR1PPARGPPARDFFAR4
SCHEMBL10064988 0.80 FFAR1 (0.52) FFAR1PPARGPPARDFFAR4ALDH1A1

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-2012010413-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-26 WO disclosed