SCHEMBL4438478

SCHEMBL4438478

C=CCOc1c(OC)ccc(C(C=O)c2c(Cl)cncc2Cl)c1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.39
HSD17B10 Q99714 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
ERN1 O75460 1/20 0.35
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4441662 0.92 HSD17B10 (0.37) PDE4DHSD17B10PTGS1PTGS2KDM4E
SCHEMBL885259 0.90 PDE4D (0.40) PDE4DHSD17B10KDM4EPOLBGAA
SCHEMBL885392 0.89 PDE4D (0.42) PDE4DHSD17B10PTGS1PTGS2KDM4E
SCHEMBL885164 0.89 PDE4D (0.41) PDE4DHSD17B10PTGS1PTGS2KDM4E
SCHEMBL4429229 0.89 PDE4D (0.48) PDE4DERN1GAANPC1SMN1; SMN2
SCHEMBL885299 0.87 PDE4D (0.43) PDE4DERN1GAANPC1MAPT
SCHEMBL885169 0.84 PDE4D (0.52) PDE4D
SCHEMBL4427860 0.82 NPC1 (0.39) PDE4DERN1GAANPC1
SCHEMBL885375 0.80 PDE4D (0.41) PDE4DHSD17B10KDM4EPOLBGAA
SCHEMBL885394 0.80 PDE4D (0.40) PDE4DERN1GAANPC1

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 2 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 disclosed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO disclosed