SCHEMBL885312

SCHEMBL885312

COc1ccccc1C(=O)COc1c(C(C=O)c2c(Cl)cncc2Cl)ccc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.47
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 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
SCHEMBL884943 0.89 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL885115 0.87 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL884977 0.87 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL884879 0.85 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL885222 0.85 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL4434300 0.81 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL885186 0.81 PDE4D (0.56) PDE4DLMNASMN1; SMN2MEN1KMT2A
SCHEMBL885385 0.81 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL884956 0.80 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL4440274 0.80 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