SCHEMBL885389

SCHEMBL885389

CCOc1c(OC)ccc(C(C=O)c2c(Cl)cncc2Cl)c1OCC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.51
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
KCNH2 Q12809 1/20 0.35
ERN1 O75460 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL885256 0.96 PDE4D (0.53) PDE4DSMN1; SMN2TDP1PDE4APDE4B
SCHEMBL4429229 0.90 PDE4D (0.48) PDE4DSMN1; SMN2TDP1PDE4APDE4B
SCHEMBL884956 0.89 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL885352 0.89 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL885259 0.89 PDE4D (0.40) PDE4DSMN1; SMN2POLB
SCHEMBL884882 0.88 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL4434300 0.87 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL885108 0.87 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL4440274 0.86 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL885345 0.86 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