SCHEMBL885299

SCHEMBL885299

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.43
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CES2 O00748 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MCL1 Q07820 1/20 0.35
MDM2 Q00987 2/20 0.35
ERN1 O75460 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
SCHEMBL4429229 0.91 PDE4D (0.48) PDE4DTDP1NPC1GAAMDM2
SCHEMBL885394 0.90 PDE4D (0.40) PDE4DNPC1GAAMDM2ERN1
SCHEMBL4427860 0.90 NPC1 (0.39) PDE4DNPC1GAAERN1
SCHEMBL4434300 0.88 PDE4D (0.45) PDE4D
SCHEMBL4438478 0.87 PDE4D (0.39) PDE4DMAPTNPC1GAAERN1
SCHEMBL4433409 0.86 MAPT (0.37) PDE4DMAPTTDP1CES2MDM2
SCHEMBL885062 0.86 PDE4D (0.50) PDE4D
SCHEMBL885169 0.85 PDE4D (0.52) PDE4D
SCHEMBL885256 0.83 PDE4D (0.53) PDE4DTDP1
SCHEMBL885389 0.81 PDE4D (0.51) PDE4DTDP1ERN1

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 5 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
WO-2014096018-A1 METHODS FOR THE PREPARATION OF SUBSTITUTED ACETOPHENONES LEO PHARMA A/S (DK) 2014-06-26 WO disclosed
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