SCHEMBL8324856

SCHEMBL8324856

CCCN(CCC)S(=O)(=O)c1ccc(C2=NC3CCCCC3c3cc(OCC)c(OC)cc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.52
PDE4A P27815 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE4C Q08493 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
CA9 Q16790 4/20 0.36
CA1 P00915 3/20 0.36
CA12 O43570 3/20 0.36
CA2 P00918 2/20 0.36
MAPT P10636 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 1/20 0.34
SLC22A6 Q4U2R8 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
SCHEMBL5058953 0.88 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL8207584 0.87 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CCA9
SCHEMBL8207586 0.87 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CCA9
SCHEMBL8328206 0.85 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL5067984 0.83 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL5036837 0.80 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CCA9
SCHEMBL5036841 0.80 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CCA9
SCHEMBL2888388 0.80 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL2888383 0.80 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL2888386 0.80 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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