SCHEMBL7437012

SCHEMBL7437012

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

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.71
CTSL P07711 2/20 0.51
CTSS P25774 2/20 0.51
CTSB P07858 1/20 0.51
CTSH P09668 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7446907 0.89 CTSK (0.56) CTSKCTSLCTSSCTSB
SCHEMBL7447101 0.89 CTSK (0.56) CTSKCTSLCTSSCTSB
SCHEMBL7443203 0.87 CTSK (0.55) CTSKCTSLCTSSCTSBCTSH
SCHEMBL7439368 0.86 CTSK (0.56) CTSKCTSLCTSSCTSB
SCHEMBL7430637 0.86 CTSK (0.56) CTSKCTSLCTSSCTSB
SCHEMBL7435889 0.84 CTSK (0.60) CTSKCTSLCTSSCTSBCTSH
SCHEMBL7444346 0.84 CTSK (0.60) CTSKCTSLCTSSCTSBCTSH
SCHEMBL7442355 0.81 CTSK (0.71) CTSKCTSLCTSSCTSB
SCHEMBL7440796 0.81 CTSK (0.64) CTSKCTSLCTSSCTSB
SCHEMBL12203593 0.79 CTSK (0.62) CTSKCTSSMEN1KMT2A

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