SCHEMBL4638010

SCHEMBL4638010

COC(=O)CC(N)c1ccc(OC)c(OC2CC3CCC2C3)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.67
PDE4A P27815 13/20 0.67
PDE4C Q08493 13/20 0.67
PDE4D Q08499 13/20 0.67
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
IRAK4 Q9NWZ3 3/20 0.41

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
Hydrochloric Acid SCHEMBL4637134 0.99 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4638165 0.95 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DIRAK4
SCHEMBL4637176 0.94 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL4637277 0.91 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4637927 0.85 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DIRAK4
SCHEMBL4637250 0.84 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL7278844 0.84 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7277081 0.84 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7289537 0.84 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7278849 0.84 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468991-B1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORP (US) 2008-02-20 EP disclosed
EP-1468991-A1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORPORATION (US) 2004-10-20 EP disclosed
EP-0874819-B1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORP (US) 2004-05-26 EP disclosed