SCHEMBL16601787

SCHEMBL16601787

O=C1C(c2ccc(O)cc2)=CC(=O)c2c1cccc2-c1cccc(O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.69
AURKA O14965 1/20 0.56
DYRK1A Q13627 1/20 0.56
PTPN1 P18031 2/20 0.51
HSD17B1 P14061 4/20 0.46
HSD17B2 P37059 4/20 0.46
P4HB P07237 1/20 0.46
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
TDP2 O95551 1/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL14305571 0.82 BACE1 (1.00) BACE1AURKADYRK1APTPN1P4HB
SCHEMBL24849449 0.77 BACE1 (0.68) BACE1AURKADYRK1APTPN1HSD17B1
SCHEMBL16601761 0.77 BACE1 (0.69) BACE1AURKADYRK1APTPN1P4HB
SCHEMBL312389 0.75 BACE1 (1.00) BACE1AURKADYRK1APTPN1P4HB
SCHEMBL31423340 0.75 BACE1 (1.00) BACE1AURKADYRK1APTPN1P4HB
SCHEMBL16601786 0.75 BACE1 (0.57) BACE1AURKADYRK1APTPN1CYP3A4
SCHEMBL24389333 0.74 BACE1 (1.00) BACE1AURKADYRK1APTPN1P4HB
SCHEMBL22220312 0.73 BACE1 (0.68) BACE1AURKADYRK1APTPN1P4HB
SCHEMBL15764239 0.72 HSD17B1 (0.48) HSD17B1HSD17B2TDP2CYP3A4CYP2C9
SCHEMBL22182158 0.72 TDP2 (0.51) HSD17B1HSD17B2TDP2CYP3A4CYP2C9

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