SCHEMBL2886326

SCHEMBL2886326

CC(CC(=O)O)c1ccc(OCCOc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.54
FFAR4 Q5NUL3 2/20 0.54
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RBP4 P02753 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
MCL1 Q07820 1/20 0.41
PPARG P37231 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL2921997 0.96 FFAR1 (0.53) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL10077721 0.88 FFAR1 (0.52) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL10077723 0.88 FFAR1 (0.49) FFAR1FFAR4L3MBTL1ALDH1A1TSHR
SCHEMBL2934482 0.88 FFAR1 (0.49) FFAR1FFAR4L3MBTL1ALDH1A1TSHR
SCHEMBL10077712 0.85 FFAR1 (0.47) FFAR1FFAR4RXRAL3MBTL1ALDH1A1
SCHEMBL10078216 0.84 FFAR1 (0.51) FFAR1FFAR4L3MBTL1ALDH1A1TSHR
SCHEMBL225321 0.83 FFAR1 (0.64) FFAR1
SCHEMBL2886228 0.83 FFAR1 (0.62) FFAR1FFAR4L3MBTL1ALDH1A1TSHR
SCHEMBL2920609 0.83 LMNA (0.61) FFAR1FFAR4L3MBTL1ALDH1A1TSHR
SCHEMBL2923463 0.83 TDP1 (0.56) FFAR1FFAR4L3MBTL1ALDH1A1TSHR

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