SCHEMBL885186

SCHEMBL885186

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCc2ccccc2)c1OC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.56
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 3/20 0.38

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
SCHEMBL885159 0.96 PDE4D (0.53) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL885063 0.91 PDE4D (0.46) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL885296 0.91 PDE4D (0.46) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL885333 0.90 PDE4D (0.47) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL886771 0.90 PDE4D (0.45) PDE4D
SCHEMBL885189 0.89 PDE4D (0.45) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL885283 0.89 PDE4D (0.45) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL885308 0.88 PDE4D (0.44) PDE4DMEN1ALDH1A1KMT2A
SCHEMBL885294 0.87 PDE4D (0.42) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL885278 0.86 PDE4D (0.42) PDE4DALDH1A1

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