SCHEMBL885333

SCHEMBL885333

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCCCOCc2ccccc2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.47
PDE4A P27815 2/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
HTR1A P08908 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL885186 0.90 PDE4D (0.56) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL885159 0.86 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CHTR1A
SCHEMBL884882 0.84 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL885108 0.83 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL884956 0.83 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL4432655 0.83 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CHTR1A
SCHEMBL885345 0.82 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL886775 0.82 PDE4D (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL885385 0.82 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CHTR1A
SCHEMBL885063 0.82 PDE4D (0.46) PDE4DHTR1AADRA1DADRA1AADRA1B

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