SCHEMBL1027012

SCHEMBL1027012

COc1ccc(/C(=C/c2c(Cl)cncc2Cl)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.48
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
MAPT P10636 7/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP19A1 P11511 1/20 0.42
PTGS2 P35354 1/20 0.42
TTR P02766 1/20 0.41
PABPC1 P11940 1/20 0.40

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
SCHEMBL1027013 1.00 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL1030403 1.00 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL1027617 0.86 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL1027619 0.86 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL1029901 0.85 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL1029900 0.85 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL1027684 0.81 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL4885939 0.78 PDE4D (0.61) PDE4DPDE4APDE4BPDE4C
SCHEMBL3193286 0.78 PDE4D (0.61) PDE4DPDE4APDE4BPDE4C
SCHEMBL1030400 0.78 PDE4B (0.77) PDE4DPDE4APDE4BPDE4C

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
EP-2044023-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2011-01-19 EP disclosed