SCHEMBL8079485

SCHEMBL8079485

CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 5/20 0.80
SIRT2 Q8IXJ6 13/20 0.79
SIRT1 Q96EB6 13/20 0.79
SIRT3 Q9NTG7 3/20 0.79

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
SCHEMBL17737195 0.89 SIRT5 (1.00) SIRT5SIRT2SIRT1SIRT3
SCHEMBL3952877 0.88 SIRT2 (0.72) SIRT5SIRT2SIRT1SIRT3
SCHEMBL3952882 0.88 SIRT2 (0.72) SIRT5SIRT2SIRT1SIRT3
SCHEMBL3953099 0.87 SIRT2 (0.73) SIRT5SIRT2SIRT1SIRT3
SCHEMBL3953097 0.87 SIRT2 (0.73) SIRT5SIRT2SIRT1SIRT3
SCHEMBL17742348 0.87 SIRT5 (0.91) SIRT5SIRT2SIRT1SIRT3
SCHEMBL17737200 0.86 SIRT2 (0.85) SIRT5SIRT2SIRT1SIRT3
SCHEMBL12877577 0.86 SIRT5 (0.68) SIRT5SIRT2SIRT1SIRT3
SCHEMBL1160192 0.86 SIRT5 (0.68) SIRT5SIRT2SIRT1SIRT3
SCHEMBL8076985 0.86 SIRT5 (0.60) SIRT5SIRT2SIRT1SIRT3

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
WO-2009026701-A1 SIRTUIN INHIBITORS METHYLGENE INC. (CA) 2009-03-05 WO disclosed