SCHEMBL885296

SCHEMBL885296

COc1ccc(COc2c(C(C=O)c3c(Cl)cncc3Cl)ccc(OC)c2OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.46
TNFRSF1A P19438 1/20 0.37
P2RX7 Q99572 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TUBB1 Q9H4B7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL885063 0.92 PDE4D (0.46) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL886771 0.91 PDE4D (0.45) PDE4D
SCHEMBL885186 0.91 PDE4D (0.56) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL884919 0.90 PDE4D (0.48) PDE4DP2RX7ALDH1A1TUBB1KDM4E
SCHEMBL885283 0.88 PDE4D (0.45) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL885308 0.88 PDE4D (0.44) PDE4DALDH1A1TUBB1MEN1MAPT
SCHEMBL885159 0.87 PDE4D (0.53) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL4434300 0.84 PDE4D (0.45) PDE4D
SCHEMBL885189 0.84 PDE4D (0.45) PDE4DHTR1AADRA1DADRA1AADRA1B
SCHEMBL884879 0.84 PDE4D (0.45) PDE4DMEN1KMT2A

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