SCHEMBL10076907

SCHEMBL10076907

CC(CCOc1ccc(C(F)(F)F)cc1)Oc1ccc(C(C)CC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.48
PPARG P37231 4/20 0.48
FFAR4 Q5NUL3 1/20 0.47
PPARA Q07869 4/20 0.44
PPARD Q03181 3/20 0.44
SLC6A9 P48067 1/20 0.44
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2892878 1.00 FFAR1 (0.48) FFAR1PPARGFFAR4PPARAPPARD
SCHEMBL2927850 0.90 PPARG (0.43) FFAR1PPARGPPARAPPARDSLC6A9
SCHEMBL2912655 0.88 FFAR1 (0.54) FFAR1PPARGFFAR4PPARAPPARD
SCHEMBL10078109 0.85 FFAR1 (0.51) FFAR1PPARGFFAR4PPARAPPARD
SCHEMBL10078105 0.85 FFAR1 (0.51) FFAR1PPARGFFAR4PPARAPPARD
SCHEMBL222960 0.85 FFAR1 (0.69) FFAR1
SCHEMBL2742740 0.85 FFAR1 (0.69) FFAR1
SCHEMBL10077723 0.82 FFAR1 (0.49) FFAR1PPARGFFAR4PPARAPPARD
SCHEMBL2934482 0.82 FFAR1 (0.49) FFAR1PPARGFFAR4PPARAPPARD
SCHEMBL2893180 0.82 FFAR1 (0.53) 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