SCHEMBL885330

SCHEMBL885330

COc1ccc(CCOc2c(C(C=O)c3c(Cl)cncc3Cl)ccc(OC)c2OC)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.46
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
PLK1 P53350 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 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
SCHEMBL885209 0.91 PDE4D (0.49) PDE4DNPBWR1MCHR1
SCHEMBL884919 0.90 PDE4D (0.48) PDE4DALDH1A1
SCHEMBL4430357 0.90 PDE4D (0.48) PDE4DNPBWR1MCHR1
SCHEMBL885246 0.90 PDE4D (0.47) PDE4DPOLB
SCHEMBL886793 0.89 PDE4D (0.48) PDE4DSMN1; SMN2
SCHEMBL884902 0.89 PDE4D (0.47) PDE4D
SCHEMBL885347 0.88 PDE4D (0.46) PDE4DNPBWR1MCHR1KMT2AALDH1A1
SCHEMBL885291 0.87 PDE4D (0.46) PDE4DALDH1A1
SCHEMBL886775 0.87 PDE4D (0.48) PDE4DPOLB
SCHEMBL885212 0.86 PDE4D (0.45) PDE4DNPBWR1MCHR1

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