SCHEMBL7444346

SCHEMBL7444346

CCC[C@@H](NC(=O)C(=O)C(CC(F)(F)F)NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.60
CTSS P25774 3/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
CTSH P09668 1/20 0.43

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
SCHEMBL7435889 1.00 CTSK (0.60) CTSKCTSSCTSLCTSBCTSH
SCHEMBL7439368 0.91 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL7430637 0.91 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL7446907 0.85 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL7437012 0.84 CTSK (0.71) CTSKCTSSCTSLCTSBCTSH
SCHEMBL7447101 0.83 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL4961187 0.83 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL7446990 0.81 CTSK (0.78) CTSKCTSSCTSLCTSBCTSH
SCHEMBL7443768 0.80 CTSK (0.44) CTSKCTSSCTSLCTSB
SCHEMBL7431637 0.80 CTSK (0.44) CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187905-B1 PEPTIDE COMPOUND WHICH INHIBITS VIRAL PROTEINASES; VIRICIDES FOR HEPATITIS C, HEPATITIS G, AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2001-02-13 US disclosed