SCHEMBL16601785

SCHEMBL16601785

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.57
PTPRC P08575 4/20 0.49
S100A4 P26447 2/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
CES1 P23141 1/20 0.48
PTPN1 P18031 1/20 0.47
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
MAPT P10636 1/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ELANE P08246 1/20 0.41

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
SCHEMBL17208864 0.86 PTPRC (0.46) BACE1PTPRCS100A4BCHEACHE
SCHEMBL16601766 0.85 PTPRC (0.45) BACE1PTPRCS100A4BCHEACHE
SCHEMBL16601728 0.81 BACE1 (0.70) BACE1PTPN1GAAMGAMSI
SCHEMBL25379353 0.79 PTPRC (0.58) PTPRCS100A4BCHEACHECES1
SCHEMBL16601794 0.74 BACE1 (0.70) BACE1PTPN1GAAMGAMSI
SCHEMBL31423340 0.74 BACE1 (1.00) BACE1PTPRCPTPN1GAAMGAM
SCHEMBL312389 0.74 BACE1 (1.00) BACE1PTPRCPTPN1GAAMGAM
SCHEMBL16601720 0.73 BACE1 (0.59) BACE1PTPN1GAAMGAMSI
SCHEMBL16601727 0.73 BACE1 (0.59) BACE1PTPN1GAAMGAMSI
SCHEMBL8166761 0.73 PTPRC (0.58) 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 4 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-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