SCHEMBL2923463

SCHEMBL2923463

Cc1ccccc1OCCOc1ccc(C(C)CC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
FFAR1 O14842 7/20 0.55
FFAR4 Q5NUL3 1/20 0.49
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.46
PPARD Q03181 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL2886228 0.87 FFAR1 (0.62) TDP1L3MBTL1FFAR1FFAR4ALDH1A1
SCHEMBL2920609 0.87 LMNA (0.61) TDP1L3MBTL1FFAR1FFAR4PPARG
SCHEMBL10078216 0.86 FFAR1 (0.51) TDP1L3MBTL1FFAR1FFAR4ALDH1A1
SCHEMBL2883654 0.86 FFAR1 (0.54) TDP1L3MBTL1FFAR1FFAR4PPARG
SCHEMBL3036279 0.83 FFAR1 (0.49) TDP1L3MBTL1FFAR1FFAR4ALDH1A1
SCHEMBL2886326 0.83 FFAR1 (0.54) TDP1L3MBTL1FFAR1FFAR4PPARG
SCHEMBL225229 0.82 FFAR1 (0.69) FFAR1
SCHEMBL18477944 0.80 TDP1 (0.57) TDP1L3MBTL1PPARGPPARAPTGES
SCHEMBL13140348 0.80 FFAR1 (0.70) FFAR1FFAR4ALDH1A1TSHR
SCHEMBL5289682 0.80 TDP1 (0.56) TDP1L3MBTL1PPARGPPARAPTGES

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