SCHEMBL8207586

SCHEMBL8207586

CCOc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)=N[C@@H]1CCCC[C@H]21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.53
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
CA2 P00918 12/20 0.48
CA1 P00915 8/20 0.48
CA9 Q16790 6/20 0.48
CA7 P43166 6/20 0.48
CA14 Q9ULX7 5/20 0.48
PTGS2 P35354 5/20 0.40
PTGS1 P23219 4/20 0.39
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
SSTR5 P35346 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 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
SCHEMBL8207584 1.00 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CCA2
SCHEMBL8212946 0.93 CA2 (0.54) PDE4DPDE4APDE4BPDE4CCA2
SCHEMBL8212941 0.93 CA2 (0.54) PDE4DPDE4APDE4BPDE4CCA2
SCHEMBL8212942 0.93 CA2 (0.54) PDE4DPDE4APDE4BPDE4CCA2
SCHEMBL8324856 0.87 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CCA2
SCHEMBL5036837 0.84 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CCA2
SCHEMBL5036841 0.84 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CCA2
SCHEMBL8328206 0.84 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL2888386 0.83 PDE4D (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL2888383 0.83 PDE4D (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121279-A PHOSPHODIESTERASE INHIBITOR FOR TREATING RESPIRATORY SYSTEM DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-09-19 US disclosed