SCHEMBL4582168

SCHEMBL4582168

CCCCCC(CNC(=O)OCc1ccccc1)C(=O)NNc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.55
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
GAA P10253 1/20 0.44
SIRT2 Q8IXJ6 10/20 0.43
SIRT1 Q96EB6 7/20 0.43
SIRT3 Q9NTG7 4/20 0.43
TLR2 O60603 1/20 0.42
SYK P43405 1/20 0.41

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
SCHEMBL1596691 0.84 CTSL (0.52) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL13434967 0.81 SIRT2 (0.53) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL133032 0.81 SIRT2 (0.53) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL3902571 0.81 SIRT2 (0.53) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL130760 0.81 MEN1 (0.51) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL8054994 0.80 SIRT2 (0.55) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL1596702 0.78 GAA (0.42) ANPEPGAA
SCHEMBL1596705 0.78 GAA (0.42) ANPEPGAA
SCHEMBL3319289 0.77 CTSL (0.56) CTSLCTSSSIRT2SIRT1SYK
SCHEMBL1734009 0.77 CTSL (0.56) CTSLCTSSSIRT2SIRT1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP disclosed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP disclosed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 WO disclosed