SCHEMBL3286187

SCHEMBL3286187

CCC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.47
CYP2C19 P33261 7/20 0.47
CYP1A2 P05177 4/20 0.47
TSHR P16473 3/20 0.47
CYP3A4 P08684 2/20 0.47
TP53 P04637 3/20 0.43
CYP2D6 P10635 3/20 0.43
ALOX15 P16050 3/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CA2 P00918 3/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
HIF1A Q16665 4/20 0.39
LMNA P02545 3/20 0.39
HSPA5 P11021 2/20 0.39
GAA P10253 1/20 0.39
CA1 P00915 2/20 0.38
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37

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
SCHEMBL5013719 0.87 CYP2C9 (0.59) CYP2C9CYP2C19CYP1A2TSHRCYP3A4
SCHEMBL29092107 0.87 CYP2C9 (0.47) CYP2C9CYP2C19CYP1A2TSHRCYP3A4
SCHEMBL550440 0.83 ALDH1A1 (0.38) CYP2C9CYP2C19CYP1A2TSHRCYP3A4
SCHEMBL3286349 0.81 SMN1; SMN2 (0.45) CYP2C9CYP2C19CYP1A2TSHRTP53
SCHEMBL809483 0.76 ALDH1A1 (0.59) CYP2C9CYP2C19CYP1A2TSHRCYP3A4
SCHEMBL14432411 0.75 HSPA5 (0.50) CYP2C9CYP2C19CYP1A2TSHRCYP3A4
SCHEMBL13400274 0.74 SMN1; SMN2 (0.54) CYP2C9CYP2C19CYP1A2TSHRTP53
SCHEMBL27965948 0.73 PTGS1 (0.42) CYP2C9CYP2C19CYP1A2TSHRCYP3A4
SCHEMBL2017743 0.73 CYP2C9 (0.62) CYP2C9CYP2C19CYP1A2TSHRCYP3A4
SCHEMBL8832899 0.73 SMN1; SMN2 (0.38) CYP2C9CYP2C19CYP1A2TSHRCYP3A4

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