SCHEMBL6446246

SCHEMBL6446246

CC(C)(C)OC(=O)NCC(C(=O)NCC#N)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.60
CTSK P43235 17/20 0.60
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52

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
SCHEMBL5526272 0.90 CTSS (0.67) CTSSCTSKCTSLCTSB
SCHEMBL6819019 0.90 CTSS (0.48) CTSSCTSKCTSLCTSB
SCHEMBL6447927 0.87 CTSK (0.52) CTSSCTSKCTSLCTSB
SCHEMBL5523207 0.85 CTSS (0.50) CTSSCTSKCTSLCTSB
SCHEMBL5525418 0.85 CTSS (0.55) CTSSCTSKCTSLCTSB
SCHEMBL7269720 0.84 SYK (0.46) CTSSCTSKCTSLCTSB
SCHEMBL6445473 0.84 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL6822170 0.84 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL6190603 0.83 CTSS (0.50) CTSSCTSKCTSLCTSB
SCHEMBL6445274 0.83 CTSS (0.60) CTSSCTSKCTSLCTSB

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
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed