SCHEMBL7439368

SCHEMBL7439368

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.56
CTSS P25774 3/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL7430637 1.00 CTSK (0.56) CTSKCTSSCTSLCTSBGABRB1
SCHEMBL7435889 0.91 CTSK (0.60) CTSKCTSSCTSLCTSB
SCHEMBL7444346 0.91 CTSK (0.60) CTSKCTSSCTSLCTSB
SCHEMBL7442582 0.88 CTSK (0.46) CTSKCTSSCTSBGABRB1GABRB2
SCHEMBL7446907 0.87 CTSK (0.56) CTSKCTSSCTSLCTSBGABRB1
SCHEMBL7437012 0.86 CTSK (0.71) CTSKCTSSCTSLCTSB
SCHEMBL7446990 0.84 CTSK (0.78) CTSKCTSSCTSLCTSB
SCHEMBL7447101 0.84 CTSK (0.56) CTSKCTSSCTSLCTSBGABRB1
SCHEMBL9608914 0.82 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL5212724 0.82 CTSK (0.56) 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