SCHEMBL2921997

SCHEMBL2921997

CC(CC(=O)O)c1ccc(OCCCOc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.53
FFAR4 Q5NUL3 3/20 0.53
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MCL1 Q07820 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RBP4 P02753 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL2886326 0.96 FFAR1 (0.54) FFAR1FFAR4POLBTDP1L3MBTL1
SCHEMBL10077712 0.89 FFAR1 (0.47) FFAR1FFAR4POLBTDP1L3MBTL1
SCHEMBL10077721 0.87 FFAR1 (0.52) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL10077723 0.87 FFAR1 (0.49) FFAR1FFAR4POLBTDP1L3MBTL1
SCHEMBL2934482 0.87 FFAR1 (0.49) FFAR1FFAR4POLBTDP1L3MBTL1
SCHEMBL222460 0.84 FFAR1 (0.63) FFAR1
SCHEMBL2912655 0.83 FFAR1 (0.54) FFAR1FFAR4POLBTDP1L3MBTL1
SCHEMBL10078216 0.81 FFAR1 (0.51) FFAR1FFAR4POLBTDP1L3MBTL1
SCHEMBL225321 0.80 FFAR1 (0.64) FFAR1
SCHEMBL10077142 0.80 FFAR1 (0.50) FFAR1FFAR4POLBTDP1L3MBTL1

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