SCHEMBL885147

SCHEMBL885147

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCC=C(C)C)c1OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.42
ALOX5 P09917 1/20 0.38
TRPA1 O75762 1/20 0.37
MTNR1A P48039 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 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
SCHEMBL885164 0.87 PDE4D (0.41) PDE4DPTGS1PTGS2PDE4APDE4B
SCHEMBL885339 0.86 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL4434300 0.85 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL885259 0.84 PDE4D (0.40) PDE4DGAA
SCHEMBL884956 0.84 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL4440274 0.84 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL885389 0.83 PDE4D (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL884882 0.83 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL885392 0.83 PDE4D (0.42) PDE4DPTGS1PTGS2PDE4APDE4B
SCHEMBL885256 0.82 PDE4D (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP disclosed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO disclosed