SCHEMBL884943

SCHEMBL884943

COc1ccc(OC)c(C(=O)COc2c(C(C=O)c3c(Cl)cncc3Cl)ccc(OC)c2OC)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL884879 0.89 PDE4D (0.45) PDE4DMEN1KMT2APDE4APDE4B
SCHEMBL885312 0.89 PDE4D (0.47) PDE4DMEN1KMT2ALMNAPDE4A
SCHEMBL885115 0.88 PDE4D (0.46) PDE4DMEN1KMT2APDE4APDE4B
SCHEMBL884977 0.85 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL885222 0.83 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL885296 0.81 PDE4D (0.46) PDE4DMEN1KMT2AKDM4EMAPT
SCHEMBL4434300 0.80 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL885283 0.80 PDE4D (0.45) PDE4D
SCHEMBL884882 0.80 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL884919 0.79 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CKDM4E

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