SCHEMBL10076910

SCHEMBL10076910

CC(CC(=O)O)c1ccc(OCCCOc2cc(C(F)(F)F)ccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.55
PPARD Q03181 5/20 0.50
FFAR1 O14842 12/20 0.49
FFAR4 Q5NUL3 1/20 0.44
PPARG P37231 4/20 0.43

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
SCHEMBL10078102 0.92 PPARA (0.60) PPARAPPARDFFAR1PPARG
SCHEMBL2912655 0.86 FFAR1 (0.54) PPARAPPARDFFAR1FFAR4PPARG
SCHEMBL222201 0.85 FFAR1 (0.63) FFAR1
SCHEMBL10077142 0.83 FFAR1 (0.50) PPARAPPARDFFAR1FFAR4PPARG
SCHEMBL10078105 0.82 FFAR1 (0.51) PPARAPPARDFFAR1FFAR4PPARG
SCHEMBL10078109 0.82 FFAR1 (0.51) PPARAPPARDFFAR1FFAR4PPARG
SCHEMBL2890248 0.79 FFAR1 (0.53) PPARAPPARDFFAR1FFAR4
SCHEMBL2920491 0.79 KDM4E (0.54) PPARAFFAR1FFAR4PPARG
SCHEMBL10077712 0.79 FFAR1 (0.47) PPARAPPARDFFAR1FFAR4
SCHEMBL2921997 0.78 FFAR1 (0.53) FFAR1FFAR4

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