SCHEMBL6446709

SCHEMBL6446709

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.53
CTSK P43235 11/20 0.53
CTSL P07711 12/20 0.48
CTSB P07858 5/20 0.48

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
SCHEMBL6447090 0.90 CTSK (0.58) CTSSCTSKCTSLCTSB
SCHEMBL6448170 0.90 CTSK (0.42) CTSSCTSKCTSLCTSB
SCHEMBL6822170 0.88 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL6445473 0.88 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL6447927 0.86 CTSK (0.52) CTSSCTSKCTSLCTSB
SCHEMBL6443482 0.84 CTSS (0.44) CTSSCTSKCTSLCTSB
SCHEMBL6442258 0.84 SMN1; SMN2 (0.48) CTSSCTSKCTSLCTSB
SCHEMBL6443843 0.83 CTSK (0.51) CTSSCTSKCTSLCTSB
SCHEMBL6446246 0.82 CTSS (0.60) CTSSCTSKCTSLCTSB
SCHEMBL6442459 0.82 SMN1; SMN2 (0.54) 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