SCHEMBL885394

SCHEMBL885394

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OC)c1O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.40
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
ERN1 O75460 5/20 0.37
AR P10275 1/20 0.37
MDM2 Q00987 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
SCHEMBL885299 0.90 PDE4D (0.43) PDE4DNPC1GAAERN1MDM2
SCHEMBL4427860 0.90 NPC1 (0.39) PDE4DNPC1GAAERN1
SCHEMBL4434300 0.88 PDE4D (0.45) PDE4D
SCHEMBL4441662 0.87 HSD17B10 (0.37) PDE4DNPC1GAAERN1
SCHEMBL4429229 0.83 PDE4D (0.48) PDE4DNPC1GAAERN1MDM2
SCHEMBL885256 0.83 PDE4D (0.53) PDE4D
SCHEMBL885389 0.81 PDE4D (0.51) PDE4DERN1
SCHEMBL884956 0.80 PDE4D (0.43) PDE4D
SCHEMBL4440274 0.80 PDE4D (0.41) PDE4D
SCHEMBL885352 0.80 PDE4D (0.45) PDE4D

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