SCHEMBL3286349

SCHEMBL3286349

Cc1c(C(C)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2C)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
ALDH1A1 P00352 4/20 0.45
CA2 P00918 3/20 0.45
POLB P06746 1/20 0.45
TYR P14679 1/20 0.45
CA1 P00915 2/20 0.42
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP1A2 P05177 3/20 0.41
HIF1A Q16665 2/20 0.39
TP53 P04637 2/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
HSPA5 P11021 1/20 0.38
ALOX15 P16050 3/20 0.37
MAPT P10636 2/20 0.37
HPN P05981 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36

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
SCHEMBL3286187 0.81 CYP2C9 (0.47) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL550440 0.80 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL5013719 0.78 CYP2C9 (0.59) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL13400274 0.78 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL392804 0.76 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL1882430 0.76 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL30448978 0.76 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL14410161 0.75 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL13196094 0.74 CYP2C9 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL28464906 0.74 GLRA3 (0.41) SMN1; SMN2ALDH1A1CA2POLBTYR

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