SCHEMBL3286347

SCHEMBL3286347

CC(c1cc(CC(C)(C)C)c(O)c(CC(C)(C)C)c1)c1cc(CC(C)(C)C)c(O)c(CC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ESR1 P03372 2/20 0.34
CYP2C19 P33261 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
PDCD1 Q15116 1/20 0.33
ESR2 Q92731 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL3286183 0.80 CYP2C19 (0.37) CYP1A2CYP2D6ESR1CYP2C19GABRA1
SCHEMBL5865868 0.76 ESR1 (0.48) CYP1A2CYP2D6ESR1CYP2C19GABRA1
SCHEMBL3286364 0.76 GABRA1 (0.46) CYP1A2CYP2D6ESR1GABRA1GABRB2
SCHEMBL10494911 0.76 CYP2C19 (0.53) CYP1A2CYP2D6ESR1CYP2C19GABRA1
SCHEMBL5827515 0.73 ESR1 (0.38) CYP1A2CYP2D6ESR1CYP2C19GABRA1
SCHEMBL3285883 0.72 HMGCR (0.38) ESR1GABRA1GABRB2PDCD1ESR2
SCHEMBL21635070 0.71 CYP2C19 (0.33) CYP2C19ALOX15MAPK1HTT
SCHEMBL15000492 0.71 PRKCE (0.47) CYP1A2CYP2D6ESR1GABRA1GABRB2
SCHEMBL5571045 0.71 CYP2C19 (0.41) CYP1A2CYP2D6ESR1CYP2C19GABRA1
SCHEMBL25865913 0.71 ALOX15 (0.35) CYP2C19GABRA1GABRB2ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718337-B2 Electrophotographic photoreceptor MITSUBISHI CHEMICAL CORPORATION (JP) 2010-05-18 US disclosed
US-20090081570-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR MITSUBISHI CHEMICAL CORPORATION (JP) 2009-03-26 US disclosed
US-7473507-B2 Electrophotographic photoreceptor with polyester resin in photosensitive layer MITSUBISHI CHEMICAL CORPORATION (JP) 2009-01-06 US disclosed
US-20060073400-A1 Electrophotographic photoreceptor MITSUBISHI CHEMICAL CORPORATION (JP) 2006-04-06 US disclosed