SCHEMBL6663697

SCHEMBL6663697

CCC(NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.62
CTSL P07711 5/20 0.62
CTSS P25774 5/20 0.62
CTSB P07858 4/20 0.62
REN P00797 1/20 0.52
LTA4H P09960 1/20 0.52
CASP1 P29466 1/20 0.50
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 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
SCHEMBL4800376 0.90 CTSK (0.67) CTSKCTSLCTSSCTSBLTA4H
SCHEMBL28546631 0.90 CTSK (0.67) CTSKCTSLCTSSCTSBLTA4H
SCHEMBL4622697 0.90 CTSK (0.67) CTSKCTSLCTSSCTSBLTA4H
SCHEMBL25282430 0.89 CTSK (0.65) CTSKCTSLCTSSCTSBLTA4H
SCHEMBL25282429 0.89 CTSK (0.65) CTSKCTSLCTSSCTSBLTA4H
SCHEMBL15649121 0.86 CTSK (0.62) CTSKCTSLCTSSCTSBLTA4H
SCHEMBL22122405 0.86 CTSK (0.62) CTSKCTSLCTSSCTSBLTA4H
SCHEMBL7331686 0.85 CTSK (0.65) CTSKCTSLCTSSCTSBREN
SCHEMBL7299710 0.85 CTSK (0.65) CTSKCTSLCTSSCTSBREN
SCHEMBL25285983 0.85 CTSL (0.64) CTSKCTSLCTSSCTSBLTA4H

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-1200457-B1 CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2004-08-25 EP disclosed
US-6635621-B1 Alpha amino acid amide derivatives; reducing cathepsins B, L, S and/or K activity NAEJA PHARMACEUTICAL INC. (CA) 2003-10-21 US disclosed
EP-1200457-A2 CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2002-05-02 EP disclosed
WO-2001009169-A2 CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2001-02-08 WO disclosed