SCHEMBL8069097

SCHEMBL8069097

COc1ccc(Cc2ccc(F)c(CO)c2)cc1-c1cccc(NO)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.49
PDE4B Q07343 5/20 0.44
FFAR1 O14842 1/20 0.39
CTSA P10619 3/20 0.38
HTR7 P34969 2/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
CASR P41180 1/20 0.36
ALOX5 P09917 1/20 0.36
GABRA1 P14867 1/20 0.36
CNR2 P34972 1/20 0.36
GABRB2 P47870 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ADRB2 P07550 2/20 0.35
ADRB1 P08588 1/20 0.35

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
SCHEMBL15906167 0.85 PDE4D (0.47) PDE4DPDE4BFFAR1CTSAHTR7
SCHEMBL8065317 0.85 PDE4D (0.47) PDE4DPDE4BFFAR1CTSAHTR7
SCHEMBL8066904 0.85 PDE4D (0.54) PDE4DPDE4BFFAR1HTR7CASR
SCHEMBL8071940 0.81 PDE4D (0.51) PDE4DPDE4BFFAR1HTR7HDAC4
SCHEMBL8071506 0.80 PDE4B (0.48) PDE4DPDE4BFFAR1HTR7CASR
SCHEMBL10440395 0.80 PDE4D (0.45) PDE4DPDE4B
SCHEMBL8066338 0.80 PDE4D (0.53) PDE4DPDE4BFFAR1HTR7HDAC4
SCHEMBL8065375 0.79 PDE4D (0.47) PDE4DPDE4BHTR7CD274ALOX5
SCHEMBL8066925 0.78 PDE4D (0.48) PDE4DPDE4BFFAR1HTR7ALOX5
SCHEMBL8066867 0.78 PDE4B (0.46) PDE4DPDE4BFFAR1CTSAHTR7

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