SCHEMBL885267

SCHEMBL885267

COc1ccc(C(C=O)c2c(OCl)cncc2OCl)c(OCCc2ccc(F)cc2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.42
CNR2 P34972 5/20 0.35
CNR1 P21554 1/20 0.35
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
DRD1 P21728 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
ADRA1B P35368 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
KCNQ1 P51787 1/20 0.32
KCNH2 Q12809 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4430357 0.90 PDE4D (0.48) PDE4DCNR2CNR1
SCHEMBL885209 0.83 PDE4D (0.49) PDE4DCNR2ADRA1B
SCHEMBL884919 0.82 PDE4D (0.48) PDE4DCNR2HTR2CHTR2B
SCHEMBL885364 0.82 PDE4D (0.40) PDE4DCNR2CNR1DRD2ADRA2B
SCHEMBL885375 0.82 PDE4D (0.41) PDE4DCNR2CNR1
SCHEMBL886793 0.81 PDE4D (0.48) PDE4DCNR2SMN1; SMN2
SCHEMBL885330 0.80 PDE4D (0.46) PDE4DSMN1; SMN2KMT2A
SCHEMBL885291 0.79 PDE4D (0.46) PDE4D
SCHEMBL885273 0.79 PDE4D (0.37) PDE4DCNR2CNR1PPARDPPARA
SCHEMBL885212 0.79 PDE4D (0.45) 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