SCHEMBL16601790

SCHEMBL16601790

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.43
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
PTPN1 P18031 2/20 0.40
SENP1 Q9P0U3 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31

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
SCHEMBL16601732 0.90 BACE1 (0.47) BACE1MGAMGAASIMGAM2
SCHEMBL16601791 0.75 BACE1 (0.50) BACE1MGAMGAASIMGAM2
SCHEMBL12112060 0.71
SCHEMBL17208873 0.70 MGAM (0.34) BACE1MGAMGAASIMGAM2
SCHEMBL16601731 0.69 HSD17B3 (0.50) BACE1MGAMGAASIMGAM2
SCHEMBL9755674 0.68 TXNRD1 (0.35) GAA
SCHEMBL14922796 0.67
SCHEMBL16601785 0.67 BACE1 (0.57) BACE1MGAMGAASIMGAM2
SCHEMBL1493536 0.63 ALDH1A1 (0.39)
SCHEMBL10765128 0.63 HSD17B3 (0.64) 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