SCHEMBL16601786

SCHEMBL16601786

O=C1C(c2ccc(CO)cc2)=CC(=O)c2c1cccc2-c1ccc(CO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.57
AURKA O14965 1/20 0.42
DYRK1A Q13627 1/20 0.42
PTPN1 P18031 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
EPHX2 P34913 1/20 0.40
PTPRC P08575 2/20 0.38
CDC25B P30305 2/20 0.38
STAT3 P40763 1/20 0.38
PTPRF P10586 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAP2K7 O14733 1/20 0.37
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAF1 P04049 1/20 0.37
ERBB2 P04626 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL15764225 0.84 BACE1 (0.68) BACE1PTPN1MEN1KMT2AMAOA
SCHEMBL16601787 0.75 BACE1 (0.69) BACE1AURKADYRK1APTPN1CYP1A2
SCHEMBL14305571 0.73 BACE1 (1.00) BACE1AURKADYRK1APTPN1MEN1
SCHEMBL28865245 0.71 BACE1 (0.66) BACE1PTPN1MEN1KMT2AMAOA
SCHEMBL24389333 0.71 BACE1 (1.00) BACE1AURKADYRK1APTPN1MEN1
SCHEMBL16601761 0.71 BACE1 (0.69) BACE1AURKADYRK1APTPN1PTPRC
SCHEMBL29647640 0.71 BACE1 (0.78) BACE1AURKADYRK1APTPN1MEN1
SCHEMBL16601788 0.71 BACE1 (0.60) BACE1PTPN1MEN1KMT2AMAOA
SCHEMBL27006529 0.71 BACE1 (0.78) BACE1AURKADYRK1APTPN1MEN1
SCHEMBL16601766 0.68 PTPRC (0.45) BACE1PTPRCALDH1A1CYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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