SCHEMBL6717261

SCHEMBL6717261

C=COC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.60
CTSK P43235 5/20 0.60
CTSB P07858 2/20 0.60
CTSL P07711 1/20 0.60
ACE P12821 1/20 0.58
KLK5 Q9Y337 1/20 0.56
ATM Q13315 1/20 0.53
PPARA Q07869 2/20 0.53
AKT1 P31749 1/20 0.53
EPHX2 P34913 1/20 0.53
PPARG P37231 1/20 0.50
APP P05067 1/20 0.49
REN P00797 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL27575100 0.90 BCL2 (0.59) CTSSCTSKCTSBCTSLACE
SCHEMBL16459752 0.87 CTSS (0.68) CTSSCTSKCTSBCTSLACE
SCHEMBL16459753 0.87 CTSS (0.68) CTSSCTSKCTSBCTSLACE
SCHEMBL18435382 0.87 CTSS (0.68) CTSSCTSKCTSBCTSLACE
SCHEMBL84524 0.85 KLK5 (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL9479971 0.85 CTSS (0.67) CTSSCTSKCTSBCTSLACE
SCHEMBL7431604 0.85 CTSS (0.67) CTSSCTSKCTSBCTSLACE
SCHEMBL6292728 0.85 KLK5 (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL21473748 0.85 KLK5 (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL1196457 0.85 KLK5 (0.72) 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
US-20040208883-A1 Method for preparing ester linked peptide-carbohydrate conjugates ISIS INNOVATION LIMITED (GB) 2004-10-21 US disclosed