SCHEMBL885115

SCHEMBL885115

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCC(=O)c2ccc(C)cc2C)c1OC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.46
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL884977 0.89 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL884943 0.88 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL885312 0.87 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL884879 0.84 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL885222 0.82 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL885114 0.80 PDE4D (0.73) PDE4DPDE4APDE4BPDE4C
SCHEMBL885063 0.80 PDE4D (0.46) PDE4DMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4434300 0.78 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL885189 0.78 PDE4D (0.45) PDE4D
SCHEMBL4440274 0.77 PDE4D (0.41) 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