SCHEMBL20121057

SCHEMBL20121057

CC(CO)C[n+]1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.38
CHRNA7 P36544 1/20 0.35
ACHE P22303 3/20 0.33
BCHE P06276 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCB11 O95342 1/20 0.32
ESR1 P03372 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 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
SCHEMBL5944512 0.78 ACHE (0.38) ACHEBCHETSHRKMT2AABCB11
SCHEMBL4893399 0.75 CHRNA7 (0.41) CHRNA7ACHEBCHECYP1A2CYP2D6
SCHEMBL804049 0.75 CHRNA7 (0.41) CHRNA7ACHEBCHECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL8589032 0.74 KMT2A (0.39) ACHEBCHETSHRKMT2AABCB11
SCHEMBL10288490 0.74 CHRNA7 (0.32) CHRNA7
SCHEMBL624573 0.74 CHRNA7 (0.39) CHRNA7ACHEBCHE
SCHEMBL4133422 0.73 CHRNA7 (0.48) CHRNA7ACHEBCHECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL32681173 0.73 CHRNA7 (0.40) CHRNA7ACHEBCHECYP1A2CYP2D6
Bromide SCHEMBL29204852 0.73 ACHE (0.42) ACHEBCHETSHRKMT2AABCB11
Bromide SCHEMBL9527459 0.73 ACHE (0.50) ACHEBCHETSHRKMT2ACHRM2

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-20180217551-A1 ELECTROPHOTOGRAPHIC MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KK (JP) 2018-08-02 US disclosed
US-9964914-B2 Electrophotographic member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2018-05-08 US disclosed