SCHEMBL17039828

SCHEMBL17039828

Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)OCc3ccccc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.51
SIRT1 Q96EB6 11/20 0.51
SIRT5 Q9NXA8 6/20 0.49
SIRT3 Q9NTG7 4/20 0.49

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
SCHEMBL17039829 0.97 SIRT2 (0.49) SIRT2SIRT1SIRT5SIRT3
SCHEMBL17039823 0.97 SIRT2 (0.49) SIRT2SIRT1SIRT5SIRT3
SCHEMBL17039854 0.97 SIRT2 (0.51) SIRT2SIRT1SIRT5SIRT3
SCHEMBL17040113 0.97 SIRT2 (0.51) SIRT2SIRT1SIRT5SIRT3
SCHEMBL17039824 0.90 CA12 (0.52) SIRT2SIRT1SIRT5SIRT3
SCHEMBL31681810 0.88 SIRT2 (0.60) SIRT2SIRT1SIRT5SIRT3
SCHEMBL30449814 0.88 SIRT2 (0.60) SIRT2SIRT1SIRT5SIRT3
SCHEMBL17039825 0.87 CA12 (0.49) SIRT2SIRT1SIRT5SIRT3
SCHEMBL17039858 0.87 CA12 (0.51) SIRT2SIRT1SIRT5SIRT3
SCHEMBL17039856 0.87 CA12 (0.51) SIRT2SIRT1SIRT5SIRT3

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-2015123783-A1 CATHEPSIN B-TARGETING PROBES THUNDER BAY REGIONAL RESEARCH INSTITUTE (CA) 2015-08-27 WO disclosed