SCHEMBL5807954

SCHEMBL5807954

COc1ccc(-c2cc[nH]c2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.60
TLR8 Q9NR97 1/20 0.60
TLR7 Q9NYK1 1/20 0.60
KDR P35968 1/20 0.50
PDE4A P27815 2/20 0.48
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
KIT P10721 1/20 0.44
DYRK1A Q13627 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.44
MPI P34949 1/20 0.44
GFER P55789 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
PDGFRB P09619 1/20 0.44

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
SCHEMBL11434799 0.83 TLR9 (0.47) TLR9TLR8TLR7KDRPDE4A
SCHEMBL17010347 0.82 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL8840880 0.81 PDE4A (0.67) PDE4AKDM4EALDH1A1MAPTTHRB
SCHEMBL16569388 0.81 KDR (0.67) TLR9TLR8TLR7KDRKDM4E
SCHEMBL28032868 0.78 KDR (0.55) TLR9TLR8TLR7KDRPDE4A
SCHEMBL30602130 0.78 TLR7 (1.00) TLR9TLR8TLR7
SCHEMBL27927388 0.74 CYP1A2 (0.59) KDM4EMAPTDYRK1ATDP1CYP3A4
SCHEMBL26260066 0.73 HIF1A (0.43) TLR9TLR8TLR7KDRKDM4E
SCHEMBL29123104 0.73 PDE4A (0.48) PDE4AKDM4EALDH1A1MAPTTHRB
SCHEMBL16541896 0.73 PDE4A (0.57) PDE4AKDM4EALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006026754-A9 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON INC (US) 2006-04-20 WO disclosed