SCHEMBL17708233

SCHEMBL17708233

C=C(C)C(=O)Oc1cc(C)c(OC(=O)C(=C)C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ELANE P08246 1/20 0.42
ACHE P22303 3/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
CHRNA4 P43681 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
SCHEMBL27986276 0.96 ELANE (0.40) ALDH1A1ELANEACHEKMT2AATM
SCHEMBL14173274 0.94 ELANE (0.39) ALDH1A1ELANEACHEKMT2AATM
SCHEMBL15495902 0.90 ALDH1A1 (0.39) ALDH1A1ELANEACHEKMT2AATM
SCHEMBL17842623 0.84 POLB (0.42) ALDH1A1ELANEACHEKMT2AATM
SCHEMBL4595840 0.82 L3MBTL1 (0.48) ALDH1A1ELANEKMT2ACYP1A2SMN1; SMN2
SCHEMBL4884127 0.82 TSHR (0.47) ALDH1A1ELANEACHEKMT2AHTT
SCHEMBL18328819 0.82 CYP3A4 (0.40) ALDH1A1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL15388438 0.81 HSD17B1 (0.40) ALDH1A1ELANEKMT2AATMSMN1; SMN2
SCHEMBL7044116 0.81 ELANE (0.50) ALDH1A1ELANEACHEKMT2AATM
SCHEMBL15495895 0.81 ACHE (0.44) ELANEACHEKMT2AATMHTT

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-9760030-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-09-12 US disclosed
US-20160116853-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-04-28 US disclosed