SCHEMBL7433454

SCHEMBL7433454

CC(C)(C)OCc1ccc(CNC(=O)C(=O)C(CC(F)(F)F)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.55
PPARA Q07869 3/20 0.43
CTSS P25774 7/20 0.42
PPARG P37231 2/20 0.41
GAA P10253 1/20 0.41
CACNA1B Q00975 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL7442355 0.88 CTSK (0.71) CTSKPPARACTSSPPARGCTSL
SCHEMBL7435956 0.87 CTSK (0.55) CTSKPPARACTSSPPARGGAA
SCHEMBL7440842 0.84 CTSK (0.53) CTSKPPARACTSSPPARGGAA
SCHEMBL7434164 0.80 GAA (0.40) CTSKPPARACTSSPPARGGAA
SCHEMBL7443191 0.79 CTSK (0.54) CTSKCTSSCACNA1B
SCHEMBL7449272 0.77 CTSK (0.52) CTSKPPARACTSSPPARG
SCHEMBL7433111 0.76 CTSK (0.49) CTSKPPARACTSSPPARGCTSL
SCHEMBL7445934 0.75 CTSK (0.54) CTSKCTSSCTSLCTSB
SCHEMBL7437324 0.74 CTSK (0.33) CTSKGAA
SCHEMBL7437313 0.74 CTSK (0.33) CTSKGAA

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