SCHEMBL885222

SCHEMBL885222

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCC(=O)c2ccc3ccccc3c2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.42
ABCG2 Q9UNQ0 2/20 0.40
KDM4E B2RXH2 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
ABCB1 P08183 1/20 0.37
MDM2 Q00987 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
SCHEMBL884879 0.88 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL884977 0.87 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL885312 0.85 PDE4D (0.47) PDE4DPDE4APDE4BPDE4C
SCHEMBL885308 0.84 PDE4D (0.44) PDE4DMDM2
SCHEMBL884943 0.83 PDE4D (0.46) PDE4DKDM4EPDE4APDE4BPDE4C
SCHEMBL885115 0.82 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL885220 0.79 PDE4D (0.69) PDE4DPDE4APDE4BPDE4C
SCHEMBL4434300 0.78 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL885186 0.78 PDE4D (0.56) PDE4D
SCHEMBL884956 0.76 PDE4D (0.43) 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