SCHEMBL3286183

SCHEMBL3286183

CCC(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 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
HKDC1 Q2TB90 1/20 0.33
ESR1 P03372 1/20 0.32
BCHE P06276 1/20 0.31
TYR P14679 1/20 0.31
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP17A1 P05093 1/20 0.30

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
SCHEMBL3286347 0.80 CYP1A2 (0.38) CYP2C19CYP2C9CYP1A2CYP2D6ALOX15
SCHEMBL3289296 0.79 GABRA1 (0.44) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL27986303 0.78 SHBG (0.39) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL8466443 0.76 CYP2D6 (0.41) CYP2C19CYP2C9CYP1A2CYP2D6ALOX15
SCHEMBL3286844 0.76 PTPN1 (0.38) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL28425566 0.73 PRKCE (0.44) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL5865868 0.73 ESR1 (0.48) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL10494911 0.73 CYP2C19 (0.53) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL283404 0.72 TSHR (0.54) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL28895481 0.72 HKDC1 (0.36) CYP2C19CYP2C9CYP1A2CYP3A4TSHR

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