SCHEMBL10077142

SCHEMBL10077142

CC(CC(=O)O)c1ccc(OCCCOc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.50
FFAR4 Q5NUL3 1/20 0.50
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPARG P37231 2/20 0.46
FAAH O00519 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
PPARA Q07869 2/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL2912655 0.91 FFAR1 (0.54) FFAR1FFAR4POLBTDP1L3MBTL1
SCHEMBL2920491 0.85 KDM4E (0.54) FFAR1FFAR4L3MBTL1PPARGFAAH
SCHEMBL10064688 0.85 FFAR1 (0.46) FFAR1FFAR4PPARGALDH1A1TSHR
SCHEMBL10076910 0.83 PPARA (0.55) FFAR1FFAR4PPARGPPARAPPARD
SCHEMBL10078102 0.83 PPARA (0.60) FFAR1PPARGPPARAPPARD
SCHEMBL226097 0.82 FFAR1 (0.68) FFAR1
SCHEMBL10077235 0.81 FFAR1 (0.48) FFAR1FFAR4POLBTDP1L3MBTL1
SCHEMBL2925885 0.81 FFAR1 (0.53) FFAR1FFAR4POLBTDP1L3MBTL1
SCHEMBL2892878 0.80 FFAR1 (0.48) FFAR1FFAR4POLBTDP1L3MBTL1
SCHEMBL2921997 0.80 FFAR1 (0.53) 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