SCHEMBL885347

SCHEMBL885347

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCCc2cccc(Br)c2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.46
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
EGFR P00533 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
SCHEMBL885246 0.91 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPKM
SCHEMBL884902 0.90 PDE4D (0.47) PDE4DPDE4APDE4BPDE4C
SCHEMBL885330 0.88 PDE4D (0.46) PDE4DALDH1A1SMN1; SMN2KMT2ANPBWR1
SCHEMBL886775 0.86 PDE4D (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL885209 0.85 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CNPBWR1
SCHEMBL886793 0.85 PDE4D (0.48) PDE4DSMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL884919 0.84 PDE4D (0.48) PDE4DALDH1A1KDM4EPDE4APDE4B
SCHEMBL4430357 0.84 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CNPBWR1
SCHEMBL4432655 0.83 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CNPBWR1
SCHEMBL885385 0.82 PDE4D (0.45) PDE4DALDH1A1KDM4EPDE4APDE4B

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