SCHEMBL8066233

SCHEMBL8066233

COc1ccc(CN2C[C@H](O)CC2=O)cc1-c1cccc(NO)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.41
PDE4A P27815 3/20 0.41
PDE4D Q08499 2/20 0.41
PDE4C Q08493 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTR7 P34969 1/20 0.37
GRM2 Q14416 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 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
SCHEMBL8070006 1.00 PDE4B (0.41) PDE4BPDE4APDE4DPDE4CMAPT
SCHEMBL15906094 0.87 PDE4B (0.43) PDE4BPDE4APDE4DPDE4CSMN1; SMN2
SCHEMBL15906169 0.87 PDE4B (0.43) PDE4BPDE4APDE4DPDE4CSMN1; SMN2
SCHEMBL8070008 0.85 PDE4D (0.42) PDE4BPDE4APDE4DPDE4CMAPT
SCHEMBL7918270 0.83 PDE4B (0.44) PDE4BPDE4DSMN1; SMN2
SCHEMBL8064986 0.83 PDE4B (0.44) PDE4BPDE4D
SCHEMBL4324592 0.83 AKR1C3 (0.46) PDE4BPDE4APDE4DPDE4CMAPT
SCHEMBL4324462 0.83 AKR1C3 (0.46) PDE4BPDE4APDE4DPDE4CMAPT
SCHEMBL4324467 0.83 AKR1C3 (0.46) PDE4BPDE4APDE4DPDE4CMAPT
SCHEMBL8068535 0.81 HDAC7 (0.49) PDE4BPDE4DGRM2HDAC4HDAC2

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