SCHEMBL885169

SCHEMBL885169

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(O)c1OCC1CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.52
PDE4B Q07343 11/20 0.38
PDE4A P27815 9/20 0.38
PDE4C Q08493 9/20 0.38
ABCB11 O95342 1/20 0.37
ACACB O00763 1/20 0.33

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
SCHEMBL4429229 0.87 PDE4D (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL885299 0.85 PDE4D (0.43) PDE4D
SCHEMBL4438478 0.84 PDE4D (0.39) PDE4D
SCHEMBL885062 0.83 PDE4D (0.50) PDE4DPDE4BPDE4APDE4C
SCHEMBL4427860 0.80 NPC1 (0.39) PDE4DPDE4BPDE4APDE4C
SCHEMBL885394 0.78 PDE4D (0.40) PDE4D
SCHEMBL885389 0.77 PDE4D (0.51) PDE4DPDE4BPDE4APDE4C
SCHEMBL4434300 0.77 PDE4D (0.45) PDE4DPDE4BPDE4APDE4C
SCHEMBL885256 0.76 PDE4D (0.53) PDE4DPDE4BPDE4APDE4C
SCHEMBL885231 0.76 HPGD (0.44) PDE4DPDE4BPDE4APDE4C

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