SCHEMBL11646451

SCHEMBL11646451

CC(Oc1ccc(Cl)cc1)C(=O)Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.53
PPARG P37231 8/20 0.53
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
NPY5R Q15761 1/20 0.45
MAPT P10636 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
SCHEMBL10175713 0.95 PPARG (0.50) PPARAPPARGTDP1CYP1A2CYP2C9
SCHEMBL9363151 0.94 CYP1A2 (0.50) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL23356457 0.89 CYP1A2 (0.54) TDP1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL16672919 0.86 GAA (0.55) TDP1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL11511982 0.84 LMNA (0.63) PPARAPPARG
SCHEMBL9367506 0.83 GAA (0.49) CYP1A2CYP2C9CYP2C19GAAPKM
SCHEMBL9362309 0.82 HTR2A (0.50) CYP1A2CYP2C9CYP2C19GAAMAPT
SCHEMBL20045401 0.82 TDP1 (0.55) PPARAPPARGTDP1CYP1A2CYP2C9
SCHEMBL9362396 0.82 HPGD (0.44) PPARATDP1GAAMAPT
SCHEMBL9320809 0.81 MEN1 (0.62) PPARAPPARGCYP1A2CYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54135734-A None JP disclosed
JP-S54135734-A PHENOXYCARBOXYLIC ESTER DERIVATIVE, ITS PREPARATION, AND HERBICIDES COMPRISING IT AS ACTIVE CONSTITUENT NIPPON TOKUSHU NOYAKU SEIZO KK 1979-10-22 JP disclosed