SCHEMBL885308

SCHEMBL885308

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCc2ccc3ccccc3c2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.44
PDE10A Q9Y233 2/20 0.37
RAB9A P51151 1/20 0.37
NPBWR1 P48145 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
MDM2 Q00987 2/20 0.35
CETP P11597 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CAPN1 P07384 1/20 0.35

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 0.88 PDE4D (0.56) PDE4DMEN1ALDH1A1KMT2A
SCHEMBL885283 0.88 PDE4D (0.45) PDE4D
SCHEMBL885241 0.88 PDE10A (0.41) PDE4DPDE10AMEN1ALDH1A1MAPT
SCHEMBL885296 0.88 PDE4D (0.46) PDE4DRAB9ATUBB1MEN1ALDH1A1
SCHEMBL886771 0.87 PDE4D (0.45) PDE4D
SCHEMBL885189 0.86 PDE4D (0.45) PDE4DRAB9ANPBWR1
SCHEMBL885063 0.85 PDE4D (0.46) PDE4DMEN1ALDH1A1MAPTKMT2A
SCHEMBL885159 0.84 PDE4D (0.53) PDE4DMEN1ALDH1A1KMT2A
SCHEMBL885222 0.84 PDE4D (0.42) PDE4DMDM2
SCHEMBL885225 0.83 PDE4D (0.41) 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