SCHEMBL8380270

SCHEMBL8380270

CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@@H](S)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.50
CTSS P25774 3/20 0.50
GABRB1 P18505 1/20 0.50
GABRB2 P47870 1/20 0.50
MAPT P10636 1/20 0.47
PPARA Q07869 5/20 0.45
PPARG P37231 4/20 0.45
PPARD Q03181 2/20 0.45
ATM Q13315 1/20 0.44
ACE P12821 1/20 0.43
APP P05067 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL13163801 0.89 GABRB1 (0.48) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL8895205 0.89 GABRB1 (0.48) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL2187825 0.85 CTSK (0.52) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL503473 0.85 CTSK (0.52) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL2187819 0.85 CTSK (0.52) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL8380269 0.84 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL4117143 0.84 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL4117141 0.84 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL3379781 0.84 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL3414715 0.84 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425212-B1 Cyclic anti-aggregatory peptides SMITHKLINE BEECHAM CORP (US) 1999-04-07 EP disclosed
EP-0425212-A2 Cyclic anti-aggregatory peptides SMITHKLINE BEECHAM CORPORATION (US) 1991-05-02 EP disclosed