SCHEMBL886789

SCHEMBL886789

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCc2c(F)cccc2C(F)(F)F)c1OC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.38
FGFR4 P22455 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GNRHR P30968 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL885278 0.82 PDE4D (0.42) PDE4DALDH1A1POLBMAPTKDM4E
SCHEMBL885186 0.80 PDE4D (0.56) PDE4DALDH1A1KMT2AMEN1NPSR1
SCHEMBL885380 0.79 PDE4D (0.38) PDE4DALDH1A1MAPTKDM4E
SCHEMBL885225 0.79 PDE4D (0.41) PDE4D
SCHEMBL4434300 0.78 PDE4D (0.45) PDE4D
SCHEMBL885283 0.78 PDE4D (0.45) PDE4DFGFR4
SCHEMBL885189 0.78 PDE4D (0.45) PDE4D
SCHEMBL885294 0.77 PDE4D (0.42) PDE4DMAPT
SCHEMBL1434058 0.77 PDE4D (0.66) PDE4D
SCHEMBL885296 0.77 PDE4D (0.46) PDE4DALDH1A1KMT2AMEN1MAPT

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