SCHEMBL6443290

SCHEMBL6443290

C=CCCOC(=O)NCC(C(=O)NCC#N)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.37
CTSL P07711 11/20 0.37
CTSK P43235 9/20 0.37
CTSB P07858 6/20 0.37

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
SCHEMBL6443446 0.90 HRH4 (0.31)
SCHEMBL6447728 0.82 NPC1 (0.44) CTSSCTSLCTSKCTSB
SCHEMBL6443744 0.82 CTSS (0.42) CTSSCTSLCTSKCTSB
SCHEMBL6446899 0.82 CTSS (0.39) CTSSCTSLCTSKCTSB
SCHEMBL6822996 0.82 CTSS (0.38) CTSSCTSLCTSKCTSB
SCHEMBL6443162 0.81 NPC1 (0.50) CTSSCTSLCTSK
SCHEMBL6447218 0.80 CTSS (0.40) CTSSCTSLCTSKCTSB
SCHEMBL6441937 0.80 CTSS (0.37) CTSSCTSLCTSKCTSB
SCHEMBL6443108 0.78 CTSS (0.48) CTSSCTSLCTSKCTSB
SCHEMBL6445607 0.78 TSHR (0.35) CTSSCTSLCTSKCTSB

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