SCHEMBL885278

SCHEMBL885278

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCc2cccc(C(F)(F)F)c2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.42
ADCYAP1R1 P41586 2/20 0.42
MRGPRX4 Q96LA9 13/20 0.40
NPBWR1 P48145 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL885380 0.89 PDE4D (0.38) PDE4DADCYAP1R1MRGPRX4KDM4EALDH1A1
SCHEMBL885225 0.88 PDE4D (0.41) PDE4DMRGPRX4
SCHEMBL885283 0.87 PDE4D (0.45) PDE4DMRGPRX4
SCHEMBL885189 0.87 PDE4D (0.45) PDE4DMRGPRX4NPBWR1THRATHRB
SCHEMBL885186 0.86 PDE4D (0.56) PDE4DALDH1A1
SCHEMBL885308 0.83 PDE4D (0.44) PDE4DNPBWR1ALDH1A1MAPT
SCHEMBL885159 0.82 PDE4D (0.53) PDE4DKDM4EALDH1A1
SCHEMBL886789 0.82 PDE4D (0.38) PDE4DKDM4EALDH1A1POLBMAPT
SCHEMBL885063 0.81 PDE4D (0.46) PDE4DALDH1A1MAPT
SCHEMBL885296 0.81 PDE4D (0.46) PDE4DKDM4EALDH1A1MAPT

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