SCHEMBL8066867

SCHEMBL8066867

BCc1ccc(OC)c(-c2cccc(NO)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.46
PDE4D Q08499 1/20 0.46
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HTR7 P34969 5/20 0.41
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 1/20 0.39
GABRA1 P14867 1/20 0.39
CNR2 P34972 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
SCHEMBL8071937 0.88 PDE4B (0.47) PDE4BPDE4DHDAC4HDAC2HDAC8
SCHEMBL8067030 0.86 PDE4D (0.49) PDE4BPDE4DHDAC4HDAC2HDAC8
SCHEMBL8014205 0.86 PDE4B (0.46) PDE4BPDE4DHDAC4HDAC2HDAC8
SCHEMBL8067827 0.83 GAA (0.51) PDE4BPDE4DLMNATSHRMAPK1
SCHEMBL8066904 0.82 PDE4D (0.54) PDE4BPDE4DHDAC4HDAC2HDAC8
SCHEMBL8071940 0.82 PDE4D (0.51) PDE4BPDE4DHDAC4HDAC2HDAC8
SCHEMBL8066338 0.81 PDE4D (0.53) PDE4BPDE4DHDAC4HDAC2HDAC8
SCHEMBL8028169 0.80 PDE4D (0.49) PDE4BPDE4DHDAC4HDAC2HDAC8
SCHEMBL8065317 0.80 PDE4D (0.47) PDE4BPDE4DHDAC4HDAC2HDAC8
SCHEMBL8065375 0.80 PDE4D (0.47) PDE4BPDE4DHDAC4HDAC2HDAC8

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-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed