SCHEMBL16601766

SCHEMBL16601766

O=C1C=C(c2ccc(CO)cc2)C(=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 4/20 0.45
S100A4 P26447 2/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CES1 P23141 1/20 0.44
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
PTGS2 P35354 2/20 0.40
BACE1 P56817 2/20 0.40
CA7 P43166 1/20 0.40
CA12 O43570 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA4 P22748 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL17208445 0.88 PTPRC (0.43) PTPRCS100A4BCHEACHECES1
SCHEMBL16601785 0.85 BACE1 (0.57) PTPRCS100A4BCHEACHECES1
SCHEMBL15764225 0.76 BACE1 (0.68) PTPRCS100A4BACE1ALDH1A1CYP3A4
SCHEMBL9568354 0.74 ALDH1A1 (0.49) PTPRCS100A4CA1CA2CA9
SCHEMBL25379353 0.73 PTPRC (0.58) PTPRCS100A4BCHEACHECES1
SCHEMBL17208864 0.73 PTPRC (0.46) PTPRCS100A4BCHEACHECES1
SCHEMBL28006408 0.70 PTPRC (0.58) PTPRCS100A4BCHEACHECES1
SCHEMBL8166761 0.70 PTPRC (0.58) PTPRCS100A4BCHEACHECES1
Paranitrobenzyl Alcohol SCHEMBL114620 0.70 TSHR (0.69) ACHECES1CA1CA2ALDH1A1
SCHEMBL11207794 0.68 PTPRC (0.83) PTPRCS100A4BCHEACHECES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed