SCHEMBL16601794

SCHEMBL16601794

O=C1C=C(c2ccc(O)cc2)C(=O)c2cc(-c3ccc(O)cc3)ccc21

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.70
MGAM O43451 1/20 0.53
GAA P10253 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
PTPN1 P18031 1/20 0.51
ESR2 Q92731 6/20 0.46
ESR1 P03372 5/20 0.46
HSD17B1 P14061 2/20 0.44
MAOA P21397 1/20 0.42
UGT1A1 P22309 1/20 0.42
MAOB P27338 1/20 0.42
AURKA O14965 1/20 0.42
DYRK1A Q13627 1/20 0.42
P4HB P07237 1/20 0.42
TDP2 O95551 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
SCHEMBL16601728 0.93 BACE1 (0.70) BACE1MGAMGAASIMGAM2
SCHEMBL31423340 0.82 BACE1 (1.00) BACE1MGAMGAASIMGAM2
SCHEMBL312389 0.82 BACE1 (1.00) BACE1MGAMGAASIMGAM2
SCHEMBL16601661 0.79 MEN1 (0.55) ESR2ESR1HSD17B1MAOAUGT1A1
SCHEMBL21887173 0.77 BACE1 (0.70) BACE1PTPN1MAOAMAOB
SCHEMBL16601720 0.75 BACE1 (0.59) BACE1MGAMGAASIMGAM2
SCHEMBL16601727 0.75 BACE1 (0.59) BACE1MGAMGAASIMGAM2
SCHEMBL12112513 0.75 MEN1 (0.61) ESR2ESR1HSD17B1MAOAUGT1A1
SCHEMBL10936171 0.74 MEN1 (0.60) BACE1PTPN1ESR2ESR1HSD17B1
SCHEMBL17208446 0.74 BACE1 (0.47) 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