SCHEMBL7447637

SCHEMBL7447637

CC(C)(C)OC(=O)NC(CC(F)(F)F)C(=O)C(=O)NCCCc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.52
CTSS P25774 5/20 0.52
CTSB P07858 2/20 0.52
PTPN1 P18031 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43
REN P00797 2/20 0.42
CES2 O00748 1/20 0.40
CTSL P07711 1/20 0.39
TGM2 P21980 1/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ACE P12821 1/20 0.38

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
SCHEMBL7442682 0.82 CTSK (0.48) CTSKCTSSCTSBPTPN1GABRB1
SCHEMBL7443203 0.79 CTSK (0.55) CTSKCTSSCTSBPTPN1GABRB1
SCHEMBL7442355 0.78 CTSK (0.71) CTSKCTSSCTSBCTSLPPARA
SCHEMBL7447641 0.77 REN (0.40) CTSKCTSSCTSBRENCES2
SCHEMBL7444365 0.77 CTSK (0.55) CTSKCTSSCTSBCTSL
SCHEMBL7442582 0.77 CTSK (0.46) CTSKCTSSCTSBPTPN1GABRB1
SCHEMBL7442736 0.75 CTSK (0.53) CTSKCTSSPTPN1
SCHEMBL7435956 0.75 CTSK (0.55) CTSKCTSSCTSBCTSLPPARA
SCHEMBL7445934 0.74 CTSK (0.54) CTSKCTSSCTSBCTSL
SCHEMBL7475581 0.74 CTSK (0.62) CTSKCTSSCTSBPTPN1GABRB1

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