SCHEMBL7442355

SCHEMBL7442355

CC(C)(C)OC(=O)NC(CC(F)(F)F)C(=O)C(=O)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.71
CTSS P25774 8/20 0.51
CTSB P07858 2/20 0.51
CTSL P07711 1/20 0.51
ATM Q13315 1/20 0.50
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
ACE P12821 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
AKT1 P31749 1/20 0.45

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
SCHEMBL7433454 0.88 CTSK (0.55) CTSKCTSSCTSBCTSLPPARA
SCHEMBL7435956 0.88 CTSK (0.55) CTSKCTSSCTSBCTSLPPARA
SCHEMBL7443191 0.86 CTSK (0.54) CTSKCTSS
SCHEMBL7440842 0.85 CTSK (0.53) CTSKCTSSPPARAPPARG
SCHEMBL7449272 0.84 CTSK (0.52) CTSKCTSSPPARAPPARG
SCHEMBL7446907 0.82 CTSK (0.56) CTSKCTSSCTSBCTSLPPARA
SCHEMBL7437012 0.81 CTSK (0.71) CTSKCTSSCTSBCTSL
SCHEMBL29771292 0.80 PPARA (0.56) CTSKCTSSCTSBCTSLATM
SCHEMBL18248042 0.80 PPARA (0.56) CTSKCTSSCTSBCTSLATM
SCHEMBL7430637 0.80 CTSK (0.56) CTSKCTSSCTSBCTSLPPARA

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