SCHEMBL2934482

SCHEMBL2934482

CC(CC(=O)O)c1ccc(OCC[C@@H](C)Oc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.49
FFAR4 Q5NUL3 2/20 0.49
PPARG P37231 9/20 0.47
PPARD Q03181 8/20 0.47
PPARA Q07869 8/20 0.47
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL10077723 1.00 FFAR1 (0.49) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL2886326 0.88 FFAR1 (0.54) FFAR1FFAR4PPARGALDH1A1TSHR
SCHEMBL2921997 0.87 FFAR1 (0.53) FFAR1FFAR4ALDH1A1TSHRPOLB
SCHEMBL224808 0.86 FFAR1 (0.58) FFAR1
SCHEMBL224809 0.86 FFAR1 (0.58) FFAR1
SCHEMBL226128 0.86 FFAR1 (0.58) FFAR1
SCHEMBL2892878 0.82 FFAR1 (0.48) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL10076907 0.82 FFAR1 (0.48) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL10077721 0.81 FFAR1 (0.52) FFAR1FFAR4PPARGPPARDALDH1A1
SCHEMBL10078105 0.80 FFAR1 (0.51) FFAR1FFAR4PPARGPPARDPPARA

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