SCHEMBL1027684

SCHEMBL1027684

COc1ccc(/C(=C/c2c(Cl)cncc2Cl)OC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.47
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
ALPL P05186 3/20 0.43
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2B6 P20813 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1027619 0.86 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL1027617 0.86 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL1029900 0.85 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL1029901 0.85 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL1027013 0.81 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL1027012 0.81 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL1030403 0.81 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL4880751 0.78 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CALPL
SCHEMBL4880746 0.78 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CALPL
SCHEMBL4884027 0.78 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CALDH1A1

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