SCHEMBL8065375

SCHEMBL8065375

COc1ccc(Cc2ccccc2O)cc1-c1cccc(NO)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.47
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
PDE4B Q07343 3/20 0.42
HTR7 P34969 2/20 0.41
ADRB2 P07550 2/20 0.39
ADRB1 P08588 1/20 0.39
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
ALOX5 P09917 3/20 0.39
KEAP1 Q14145 1/20 0.38
CNR2 P34972 2/20 0.38
CD274 Q9NZQ7 1/20 0.37
CALM1 P0DP23 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
SCHEMBL8065317 0.88 PDE4D (0.47) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL8071506 0.88 PDE4B (0.48) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL8066925 0.87 PDE4D (0.48) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL8066158 0.84 PDE4D (0.48) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL15906168 0.84 HDAC4 (0.45) PDE4DHDAC4HDAC2HDAC8HTR7
SCHEMBL8071940 0.83 PDE4D (0.51) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL8067909 0.83 PDE4D (0.45) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL8066904 0.81 PDE4D (0.54) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL8066867 0.80 PDE4B (0.46) PDE4DHDAC4HDAC2HDAC8PDE4B
SCHEMBL8014205 0.80 PDE4B (0.46) PDE4DHDAC4HDAC2HDAC8PDE4B

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