SCHEMBL15412975

SCHEMBL15412975

CCC(c1ccccc1)c1ccc(OC)cc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.71
BCHE P06276 2/20 0.71
ACHE P22303 2/20 0.71
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
LMNA P02545 2/20 0.45
PGR P06401 2/20 0.45
HPGD P15428 2/20 0.45
SLC6A2 P23975 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
CYP2D6 P10635 1/20 0.45
PDE4A P27815 1/20 0.45
MAPK1 P28482 1/20 0.45
HRH1 P35367 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PDE4D Q08499 1/20 0.45
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
AKR1C1 Q04828 1/20 0.43

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
SCHEMBL11795944 0.87 BCHE (0.58) TYRBCHEACHECYP1A2CYP2C19
SCHEMBL21830548 0.86 TYR (0.69) TYRBCHEACHECYP1A2CYP2C19
SCHEMBL29492260 0.86 TYR (0.69) TYRBCHEACHECYP1A2CYP2C19
SCHEMBL50738 0.83 TYR (0.54) TYRBCHEACHECYP1A2CYP2C19
SCHEMBL29492454 0.83 TYR (0.66) TYRBCHEACHECYP1A2CYP2C19
SCHEMBL21830428 0.83 TYR (0.66) TYRBCHEACHECYP1A2CYP2C19
SCHEMBL3823999 0.82 TYR (0.52) TYRBCHEACHECYP1A2CYP2C19
SCHEMBL5584056 0.81 TYR (0.55) TYRBCHEACHECYP1A2CYP2C19
SCHEMBL4596682 0.80 TYR (0.61) TYRBCHEACHECYP1A2CYP2C19
SCHEMBL11558507 0.78 HPGD (0.50) TYRBCHEACHECYP1A2CYP2C19

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-2014010099-A1 COMPOSITE PIGMENT AND METHOD FOR PREPARING THE SAME L'OREAL (FR) 2014-01-16 WO disclosed