SCHEMBL23447154

SCHEMBL23447154

CC(C)(C)OC(=O)NC(Cc1ccc(O)c(C(C)(C)C)c1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.54
CTSK P43235 7/20 0.54
CTSB P07858 4/20 0.51
CTSL P07711 2/20 0.51
REN P00797 1/20 0.49
ACE P12821 1/20 0.47
KLK5 Q9Y337 1/20 0.46
PTPN1 P18031 1/20 0.46
BCL2 P10415 1/20 0.46
TACR1 P25103 1/20 0.46
AKT1 P31749 1/20 0.46
TYR P14679 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
SCHEMBL23085809 0.92 CTSS (0.57) CTSSCTSKCTSBCTSLREN
SCHEMBL23448102 0.87 CTSS (0.50) CTSSCTSKCTSBCTSLREN
SCHEMBL3821800 0.86 CTSS (0.65) CTSSCTSKCTSBCTSLREN
SCHEMBL27487987 0.86 CTSS (0.65) CTSSCTSKCTSBCTSLREN
SCHEMBL16163459 0.86 CTSS (0.63) CTSSCTSKCTSBCTSLACE
SCHEMBL7235877 0.86 CTSS (0.63) CTSSCTSKCTSBCTSLACE
SCHEMBL1486267 0.86 CTSS (0.63) CTSSCTSKCTSBCTSLACE
SCHEMBL27487988 0.86 CTSS (0.65) CTSSCTSKCTSBCTSLREN
SCHEMBL7673164 0.85 CTSS (0.51) CTSSCTSKCTSBCTSLREN
SCHEMBL6572493 0.84 PPARA (0.54) CTSSCTSKCTSBCTSLACE

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
WO-2021106000-A1 PROCESS FOR MAKING BIARYL-BRIDGED CYCLIC PEPTIDES B.G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2021-06-03 WO disclosed