SCHEMBL2890248

SCHEMBL2890248

CC(CC(=O)O)c1ccc(OCC(O)COc2ccc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.53
PPARD Q03181 3/20 0.46
PPARA Q07869 1/20 0.46
MRGPRX4 Q96LA9 9/20 0.44
FFAR4 Q5NUL3 1/20 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
SCHEMBL2890794 0.91 MRGPRX4 (0.46) FFAR1PPARDPPARAMRGPRX4
SCHEMBL10077179 0.90 FFAR1 (0.51) FFAR1PPARDPPARAMRGPRX4FFAR4
SCHEMBL10078102 0.88 PPARA (0.60) FFAR1PPARDPPARAMRGPRX4
SCHEMBL10078104 0.86 PPARD (0.53) FFAR1PPARDPPARAMRGPRX4FFAR4
SCHEMBL224853 0.85 FFAR1 (0.64) FFAR1
SCHEMBL10078225 0.83 CYP2C19 (0.55) FFAR1PPARDPPARAFFAR4
SCHEMBL10064429 0.83 FFAR1 (0.50) FFAR1PPARDPPARAMRGPRX4FFAR4
SCHEMBL10078105 0.82 FFAR1 (0.51) FFAR1PPARDPPARAMRGPRX4FFAR4
SCHEMBL10078109 0.82 FFAR1 (0.51) FFAR1PPARDPPARAMRGPRX4FFAR4
SCHEMBL2974948 0.81 FFAR1 (0.48) FFAR1PPARDPPARAMRGPRX4FFAR4

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