SCHEMBL885241

SCHEMBL885241

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCc2ccc3nc(C)ccc3c2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.41
PDE4D Q08499 6/20 0.38
KLKB1 P03952 1/20 0.36
PPARG P37231 1/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL4435174 0.88 PDE10A (0.43) PDE10APDE4DKLKB1PPARG
SCHEMBL885308 0.88 PDE4D (0.44) PDE10APDE4DMEN1ALDH1A1MAPT
SCHEMBL885063 0.84 PDE4D (0.46) PDE4DMEN1ALDH1A1MAPTKMT2A
SCHEMBL885189 0.83 PDE4D (0.45) PDE4D
SCHEMBL885296 0.82 PDE4D (0.46) PDE4DMEN1ALDH1A1MAPTKMT2A
SCHEMBL886771 0.82 PDE4D (0.45) PDE4D
SCHEMBL885186 0.81 PDE4D (0.56) PDE4DMEN1ALDH1A1KMT2A
SCHEMBL885283 0.81 PDE4D (0.45) PDE4D
SCHEMBL885278 0.78 PDE4D (0.42) PDE4DALDH1A1MAPT
SCHEMBL4434300 0.78 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