SCHEMBL6062834

SCHEMBL6062834

O=C(CCCCNC(=O)C(CS(=O)(=O)Cc1ccccc1)CS(=O)(=O)Cc1ccccc1)c1nc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 15/20 0.56
FAAH O00519 9/20 0.56
CES1 P23141 6/20 0.56
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6061878 0.89 DAGLA (0.47) DAGLAFAAHCES1
SCHEMBL6636292 0.89 DAGLA (0.45) DAGLAFAAHCES1
SCHEMBL6630749 0.89 DAGLA (0.53) DAGLAFAAHCES1ALDH1A1
SCHEMBL6631047 0.88 DAGLA (0.52) DAGLAFAAHCES1ALDH1A1
SCHEMBL6062952 0.88 DAGLA (0.52) DAGLAFAAHCES1ALDH1A1
SCHEMBL6061821 0.87 DAGLA (0.51) DAGLAFAAHCES1ALDH1A1
SCHEMBL6061613 0.87 DAGLA (0.51) DAGLAFAAHCES1ALDH1A1
SCHEMBL6061858 0.86 DAGLA (0.45) DAGLAFAAHCES1ALDH1A1
SCHEMBL6633750 0.85 DAGLA (0.44) DAGLAFAAHCES1ALDH1A1
SCHEMBL6062153 0.85 DAGLA (0.43) DAGLAFAAHCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 WO disclosed