SCHEMBL8328206

SCHEMBL8328206

CCOc1cc2c(cc1OC)C(c1ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc1)=NC1CCCCC21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
MAPT P10636 7/20 0.40
LMNA P02545 4/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MCOLN3 Q8TDD5 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36

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
SCHEMBL8324856 0.85 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL8207586 0.84 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL8207584 0.84 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL5058869 0.83 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL9319384 0.82 PDE4D (0.72) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL7390950 0.82 PDE4D (0.72) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL7704344 0.78 PDE4D (0.77) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL7704337 0.78 PDE4D (0.77) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL7704339 0.78 PDE4D (0.77) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL5036837 0.78 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C

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-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed