SCHEMBL16601732

SCHEMBL16601732

O=C1C(c2ccc(O)cc2)=C/C(=C2/C=C(c3ccc(O)cc3)C(=O)C([N+](=O)[O-])=C2)C=C1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.47
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
PTPN1 P18031 1/20 0.44
SENP1 Q9P0U3 1/20 0.37
ESR1 P03372 5/20 0.36
ESR2 Q92731 5/20 0.36
PDPK1 O15530 1/20 0.33
EGFR P00533 1/20 0.33
FBP1 P09467 1/20 0.33
NPBWR1 P48145 1/20 0.33

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
SCHEMBL16601790 0.90 BACE1 (0.43) BACE1MGAMGAASIMGAM2
SCHEMBL17208873 0.78 MGAM (0.34) BACE1MGAMGAASIMGAM2
SCHEMBL16601785 0.71 BACE1 (0.57) BACE1MGAMGAASIMGAM2
SCHEMBL17208864 0.69 PTPRC (0.46) BACE1GAAPTPN1NPBWR1
SCHEMBL16601729 0.69 BACE1 (0.47) BACE1MGAMGAASIMGAM2
SCHEMBL16602000 0.69 MMP3 (0.60) BACE1MGAMGAASIMGAM2
SCHEMBL1539361 0.65 CA1 (0.55) GAAESR1ESR2NPBWR1
SCHEMBL29199081 0.65 CA1 (0.55) GAAESR1ESR2NPBWR1
SCHEMBL16601791 0.64 BACE1 (0.50) BACE1MGAMGAASIMGAM2
SCHEMBL312389 0.64 BACE1 (1.00) BACE1MGAMGAASIMGAM2

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