SCHEMBL885164

SCHEMBL885164

C=CCOc1c(C(C=O)c2c(Cl)cncc2Cl)ccc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.41
HSD17B10 Q99714 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL885259 0.97 PDE4D (0.40) PDE4DHSD17B10KDM4EPOLBLMNA
SCHEMBL885392 0.96 PDE4D (0.42) PDE4DHSD17B10PTGS1PTGS2KDM4E
SCHEMBL4441662 0.89 HSD17B10 (0.37) PDE4DHSD17B10PTGS1PTGS2KDM4E
SCHEMBL4438478 0.89 PDE4D (0.39) PDE4DHSD17B10PTGS1PTGS2KDM4E
SCHEMBL4434300 0.87 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL885147 0.87 PDE4D (0.42) PDE4DPTGS1PTGS2PDE4APDE4B
SCHEMBL885375 0.86 PDE4D (0.41) PDE4DHSD17B10KDM4EPOLBPDE4A
SCHEMBL884956 0.86 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL4440274 0.86 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL885389 0.85 PDE4D (0.51) PDE4DPOLBPDE4APDE4BPDE4C

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