SCHEMBL4035273

SCHEMBL4035273

CCCCC[C@H](CNC(=O)OCc1ccccc1)C(=O)N(N)C(=O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
SIRT1 Q96EB6 4/20 0.43
HSD17B10 Q99714 1/20 0.43
SIRT3 Q9NTG7 3/20 0.43
SYK P43405 1/20 0.43
TLR2 O60603 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
SCHEMBL3902571 0.82 SIRT2 (0.53) SIRT2CTSLCTSSSIRT1SIRT3
SCHEMBL13434967 0.82 SIRT2 (0.53) SIRT2CTSLCTSSSIRT1SIRT3
SCHEMBL133032 0.82 SIRT2 (0.53) SIRT2CTSLCTSSSIRT1SIRT3
SCHEMBL8054994 0.81 SIRT2 (0.55) SIRT2CTSLCTSSSIRT1SIRT3
SCHEMBL6024219 0.80 CNR2 (0.43)
SCHEMBL130760 0.80 MEN1 (0.51) SIRT2CTSLCTSSSIRT1SIRT3
SCHEMBL1596691 0.79 CTSL (0.52) SIRT2CTSLCTSSSIRT1SIRT3
SCHEMBL1734009 0.79 CTSL (0.56) SIRT2CTSLCTSSSIRT1HSD17B10
SCHEMBL3319289 0.79 CTSL (0.56) SIRT2CTSLCTSSSIRT1HSD17B10
SCHEMBL4542544 0.77 SMN1; SMN2 (0.54) SIRT2CTSLCTSSSIRT1SIRT3

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-1585518-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
EP-1585518-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-19 EP disclosed
WO-2005032550-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-04-14 WO disclosed