SCHEMBL13446409

SCHEMBL13446409

COc1cc(C2(c3ccc(C)c(OC(C)=O)c3)c3ccccc3-c3ccccc32)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
CHRM5 P08912 6/20 0.44
ACHE P22303 1/20 0.43
TNFSF11 O14788 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
BACE1 P56817 1/20 0.37
TSHR P16473 1/20 0.37
FPR1 P21462 1/20 0.36
GRM4 Q14833 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL12602049 0.95 ESR1 (0.54) ESR1ESR2CHRM5ACHEHTT
SCHEMBL11949430 0.88 ESR1 (0.47) ESR1ESR2CHRM5ALDH1A1MAPT
SCHEMBL822520 0.87 ESR1 (0.52) ESR1ESR2CHRM5TNFSF11HTT
SCHEMBL14287530 0.81 ESR1 (0.49) ESR1ESR2CHRM5MAPTNPC1
SCHEMBL11949428 0.81 FPR1 (0.37) ESR1ESR2CHRM5ALDH1A1MAPT
SCHEMBL17148016 0.80 BACE1 (0.44) ESR1ESR2TNFSF11HTTALDH1A1
SCHEMBL22651232 0.79 ESR1 (0.70) ESR1ESR2CHRM5HTTALDH1A1
SCHEMBL21075509 0.77 ESR1 (0.49) ESR1ESR2CHRM5HTTALDH1A1
SCHEMBL17791453 0.76 ESR1 (0.48) ESR1ESR2HTTALDH1A1MAPT
SCHEMBL18415977 0.76 ESR1 (0.61) ESR1ESR2CHRM5ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8956792-B2 Electrophotographic photosensitive member, process cartridge, electrophotographic apparatus, and method of producing electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 2015-02-17 US disclosed
US-20120263494-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS, AND METHOD OF PRODUCING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER CANON KABUSHIKI KAISHA (JP) 2012-10-18 US disclosed