SCHEMBL885263

SCHEMBL885263

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCc2ccc(C)c(F)c2F)c1OC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
MDM2 Q00987 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL885294 0.86 PDE4D (0.42) PDE4DCYP1A2MAPT
SCHEMBL885063 0.82 PDE4D (0.46) PDE4DALDH1A1CYP1A2MAPTL3MBTL1
SCHEMBL886790 0.81 PDE4D (0.40) PDE4DCYP1A2POLBMAPT
SCHEMBL4434300 0.81 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL885186 0.81 PDE4D (0.56) PDE4DALDH1A1
SCHEMBL885296 0.80 PDE4D (0.46) PDE4DALDH1A1MAPT
SCHEMBL884956 0.79 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL4440274 0.79 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL886771 0.79 PDE4D (0.45) PDE4D
SCHEMBL885389 0.79 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CPOLB

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