SCHEMBL885234

SCHEMBL885234

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCCOc2ccc(Cl)cc2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
PDE4D Q08499 15/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33

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 0.89 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL884882 0.89 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL884956 0.87 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL884919 0.86 PDE4D (0.48) ALDH1A1PDE4DKDM4EPDE4APDE4B
SCHEMBL885108 0.85 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL4434300 0.84 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL885345 0.84 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL885296 0.84 PDE4D (0.46) ALDH1A1PDE4DMEN1KMT2AKDM4E
SCHEMBL4440274 0.83 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL885352 0.83 PDE4D (0.45) 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