SCHEMBL4039723

SCHEMBL4039723

CCC(c1cc(-c2ccc(F)c(CNc3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.48
PDE4B Q07343 19/20 0.48
PDE4C Q08493 19/20 0.48
PDE4D Q08499 19/20 0.48
CYP2C9 P11712 8/20 0.45

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
SCHEMBL5846399 0.83 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6635940 0.83 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4037670 0.82 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5256112 0.77 CYP2C9 (0.60) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6181600 0.76 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4040769 0.75 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5776932 0.74 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4035507 0.73 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6605149 0.70 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6181363 0.69 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCYP2C9

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
EP-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed