SCHEMBL886790

SCHEMBL886790

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCc2ccccc2OC(F)F)c1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.40
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
ALKBH1 Q13686 1/20 0.34
P2RX7 Q99572 1/20 0.34
CYP1A2 P05177 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 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
SCHEMBL885294 0.87 PDE4D (0.42) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL885186 0.84 PDE4D (0.56) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL885385 0.83 PDE4D (0.45) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL885263 0.81 PDE4D (0.36) PDE4DCYP1A2POLBMAPT
SCHEMBL4434300 0.80 PDE4D (0.45) PDE4D
SCHEMBL885159 0.80 PDE4D (0.53) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL885063 0.79 PDE4D (0.46) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL885296 0.79 PDE4D (0.46) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL885308 0.79 PDE4D (0.44) PDE4DMAPT
SCHEMBL4440274 0.78 PDE4D (0.41) 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