SCHEMBL16601629

SCHEMBL16601629

CC1=CC(=C2C=C(c3ccccc3)C(=O)C(c3ccccc3)=C2)C=CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.48
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
PTPN1 P18031 4/20 0.43
CDC25B P30305 2/20 0.43
PTPRC P08575 2/20 0.43
PTPRF P10586 1/20 0.43
HSD17B3 P37058 1/20 0.43
PDE4B Q07343 1/20 0.41
MAPK1 P28482 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
PKM P14618 2/20 0.39
KDM4E B2RXH2 2/20 0.39
THRB P10828 2/20 0.39
S1PR2 O95136 1/20 0.39
XBP1 P17861 1/20 0.39
ALOX12 P18054 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
SCHEMBL10160580 0.84 BACE1 (0.57) BACE1MAOAMAOBPTPN1CDC25B
SCHEMBL14922782 0.84 PTGS2 (0.34) BACE1HSD17B3MAPK1MAPTPKM
SCHEMBL134702 0.80 BACE1 (0.73) BACE1MAOAMAOBPTPN1CDC25B
SCHEMBL21887168 0.78 MAOA (0.72) BACE1MAOAMAOBPTPN1CDC25B
SCHEMBL16656179 0.76 MAPT (0.43) BACE1MAOAMAOBHSD17B3MAPK1
SCHEMBL12112009 0.75 EEF2K (0.37) MAOAMAOBCDC25BMAPK1LMNA
SCHEMBL20824938 0.75 EEF2K (0.37) MAOAMAOBCDC25BMAPK1LMNA
SCHEMBL16601763 0.74 HSD17B3 (0.49) BACE1MAOAMAOBPTPN1CDC25B
Biphenyl SCHEMBL28097686 0.72 HSD17B3 (0.59) BACE1MAOAMAOBPTPN1CDC25B
SCHEMBL13903839 0.71 BACE1 (0.39) BACE1MAOAMAOBPTPN1CDC25B

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