SCHEMBL6621241

SCHEMBL6621241

COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](NC(=O)Oc2coc3occc23)[C@@H](C)O)cc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.44
PDE4A P27815 18/20 0.44
PDE4C Q08493 18/20 0.44
PDE4D Q08499 18/20 0.44

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
SCHEMBL6617043 0.86 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL4872193 0.83 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL4869227 0.83 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL4869453 0.83 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL4869968 0.82 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL7251478 0.81 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL4873029 0.81 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL5774977 0.81 L3MBTL1 (0.32)
SCHEMBL4873477 0.81 MLNR (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL4871545 0.81 PDE4A (0.46) PDE4BPDE4APDE4CPDE4D

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-1086076-B1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2004-12-22 EP disclosed