SCHEMBL2893180

SCHEMBL2893180

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.53
PPARG P37231 1/20 0.53
FFAR4 Q5NUL3 1/20 0.52
PPARD Q03181 2/20 0.50
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44

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
SCHEMBL10076908 0.89 FFAR1 (0.53) FFAR1PPARGFFAR4PPARDALDH1A1
SCHEMBL10077182 0.88 PPARD (0.44) FFAR1PPARGFFAR4PPARDALDH1A1
SCHEMBL2912655 0.88 FFAR1 (0.54) FFAR1PPARGFFAR4PPARDALDH1A1
SCHEMBL10077727 0.88 FFAR1 (0.54) FFAR1PPARGFFAR4
SCHEMBL10077238 0.87 FFAR1 (0.51) FFAR1PPARGFFAR4PPARDALDH1A1
SCHEMBL12894897 0.86 FFAR1 (0.56) FFAR1PPARGFFAR4ALDH1A1
SCHEMBL10077240 0.86 FFAR1 (0.52) FFAR1PPARGFFAR4ALDH1A1TSHR
SCHEMBL225088 0.83 FFAR1 (0.76) FFAR1
SCHEMBL10077721 0.83 FFAR1 (0.52) FFAR1PPARGFFAR4PPARDALDH1A1
SCHEMBL10064988 0.83 FFAR1 (0.52) FFAR1PPARGFFAR4PPARDALDH1A1

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