SCHEMBL8380269

SCHEMBL8380269

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.51
CTSS P25774 1/20 0.51
APP P05067 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
GABRB1 P18505 1/20 0.45
GABRB2 P47870 1/20 0.45
MAPT P10636 1/20 0.45
PPARA Q07869 3/20 0.45
PPARG P37231 2/20 0.45
ATM Q13315 1/20 0.45
ACE P12821 1/20 0.44
PPARD Q03181 1/20 0.43

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
SCHEMBL4117143 1.00 CTSK (0.51) CTSKCTSSAPPCA1CA2
SCHEMBL4117141 1.00 CTSK (0.51) CTSKCTSSAPPCA1CA2
SCHEMBL3184905 1.00 CTSK (0.51) CTSKCTSSAPPCA1CA2
SCHEMBL30641554 0.93 KLK5 (0.48) CTSKCTSSAPPCA1CA2
SCHEMBL18938358 0.92 CTSS (0.48) CTSKCTSSAPPPPARAPPARG
SCHEMBL9854732 0.89 CTSS (0.46) CTSKCTSSAPPATM
SCHEMBL23158638 0.88 CTSK (0.49) CTSKCTSSAPPGABRB1GABRB2
SCHEMBL8895040 0.88 KLK5 (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL8231291 0.88 KLK5 (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL12069801 0.88 KLK5 (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