SCHEMBL884879

SCHEMBL884879

COc1ccc(C(=O)COc2c(C(C=O)c3c(Cl)cncc3Cl)ccc(OC)c2OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.45
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL884977 0.93 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL884943 0.89 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL885222 0.88 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL885312 0.85 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL885296 0.84 PDE4D (0.46) PDE4DMEN1KMT2A
SCHEMBL885115 0.84 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL884919 0.83 PDE4D (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL4434300 0.81 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL884882 0.81 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL885234 0.81 ALDH1A1 (0.44) PDE4DPDE4APDE4BPDE4CMEN1

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