SCHEMBL8064607

SCHEMBL8064607

COc1ccc(Cc2ccc(NO)cc2)cc1-c1cccc(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.76
PDE4B Q07343 6/20 0.55
ALDH1A1 P00352 2/20 0.41
FBP1 P09467 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.41
MME P08473 1/20 0.41
MMEL1 Q495T6 1/20 0.41
HTR7 P34969 3/20 0.40
ERN1 O75460 1/20 0.40
POLB P06746 1/20 0.40
CNR2 P34972 1/20 0.39
HPGD P15428 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 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
SCHEMBL8069731 0.90 PDE4D (0.75) PDE4DPDE4BALDH1A1FBP1MEN1
Hydrochloric Acid SCHEMBL3793941 0.89 PDE4D (0.73) PDE4DPDE4BALDH1A1FBP1MEN1
SCHEMBL4326773 0.87 PDE4D (0.71) PDE4DPDE4BFBP1PTGES2HTR7
SCHEMBL4320297 0.86 PDE4D (0.84) PDE4DPDE4BALDH1A1FBP1MEN1
SCHEMBL3466522 0.86 PDE4D (1.00) PDE4DPDE4BALDH1A1FBP1MEN1
SCHEMBL3790675 0.84 PDE4D (0.70) PDE4DPDE4BALDH1A1PTGES2HPGD
SCHEMBL17633592 0.84 PDE4D (0.66) PDE4DPDE4BHTR7POLBHPGD
SCHEMBL3788487 0.84 PDE4D (0.69) PDE4DPDE4BALDH1A1GAAPTGES2
SCHEMBL8069704 0.84 PDE4D (0.54) PDE4DPDE4BALDH1A1MEN1GAA
Hydrochloric Acid SCHEMBL3793938 0.84 PDE4D (0.69) PDE4DPDE4BGAAPTGES2HTR7

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