SCHEMBL886776

SCHEMBL886776

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCCc2ccccn2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.44
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL885385 0.87 PDE4D (0.45) PDE4DKDM4EALDH1A1
SCHEMBL886793 0.85 PDE4D (0.48) PDE4DSMN1; SMN2RAB9A
SCHEMBL886775 0.85 PDE4D (0.48) PDE4D
SCHEMBL884956 0.84 PDE4D (0.43) PDE4D
SCHEMBL885209 0.83 PDE4D (0.49) PDE4D
SCHEMBL884882 0.83 PDE4D (0.42) PDE4D
SCHEMBL885330 0.83 PDE4D (0.46) PDE4DKMT2AALDH1A1SMN1; SMN2
SCHEMBL4430357 0.83 PDE4D (0.48) PDE4D
SCHEMBL884919 0.83 PDE4D (0.48) PDE4DKDM4EALDH1A1
SCHEMBL885246 0.82 PDE4D (0.47) PDE4DPKMTP53

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