SCHEMBL885291

SCHEMBL885291

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCCc2ccc(S(C)(=O)=O)cc2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.46
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PTGS2 P35354 4/20 0.33
PTGS1 P23219 2/20 0.33
RORC P51449 1/20 0.33
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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 0.90 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL884919 0.89 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL4430357 0.89 PDE4D (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL886793 0.88 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CRAB9A
SCHEMBL885330 0.87 PDE4D (0.46) PDE4DALDH1A1
SCHEMBL885212 0.86 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL886775 0.83 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CRORC
SCHEMBL885246 0.83 PDE4D (0.47) PDE4DPDE4APDE4BPDE4C
SCHEMBL884956 0.82 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL4432655 0.82 PDE4D (0.51) PDE4DPDE4APDE4BPDE4C

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