SCHEMBL885259

SCHEMBL885259

C=CCOc1c(OC)ccc(C(C=O)c2c(Cl)cncc2Cl)c1OCC=C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.40
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
KDM5A P29375 1/20 0.33
KDM5C P41229 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
SCHEMBL885392 0.97 PDE4D (0.42) PDE4DHSD17B10KDM4EPOLBLMNA
SCHEMBL885164 0.97 PDE4D (0.41) PDE4DHSD17B10KDM4EPOLBLMNA
SCHEMBL4441662 0.90 HSD17B10 (0.37) PDE4DHSD17B10KDM4ELMNAMAPT
SCHEMBL4438478 0.90 PDE4D (0.39) PDE4DHSD17B10KDM4EPOLBLMNA
SCHEMBL885375 0.89 PDE4D (0.41) PDE4DHSD17B10KDM4EPOLBLMNA
SCHEMBL885389 0.89 PDE4D (0.51) PDE4DPOLBSMN1; SMN2
SCHEMBL885256 0.85 PDE4D (0.53) PDE4DSMN1; SMN2
SCHEMBL885147 0.84 PDE4D (0.42) PDE4DGAA
SCHEMBL4434300 0.83 PDE4D (0.45) PDE4D
SCHEMBL884956 0.82 PDE4D (0.43) PDE4D

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