SCHEMBL17039859

SCHEMBL17039859

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccc(CBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 3/20 0.56
▸ SIRT2 Q8IXJ6 13/20 0.56
▸ SIRT1 Q96EB6 12/20 0.56
▸ SIRT3 Q9NTG7 3/20 0.56
▸ PSMB8 P28062 1/20 0.52
▸ PSMB9 P28065 1/20 0.52
▸ PSMB5 P28074 1/20 0.52

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
SCHEMBL17039814 0.94 SIRT2 (0.58) SIRT5SIRT2SIRT1SIRT3
SCHEMBL17750718 0.93 SIRT5 (0.57) SIRT5SIRT2SIRT1SIRT3PSMB8
SCHEMBL17039855 0.93 SIRT5 (0.57) SIRT5SIRT2SIRT1SIRT3PSMB8
SCHEMBL17750717 0.92 SIRT5 (0.56) SIRT5SIRT2SIRT1SIRT3PSMB8
SCHEMBL17039831 0.89 SIRT5 (0.61) SIRT5SIRT2SIRT1SIRT3
SCHEMBL19784346 0.87 SIRT2 (0.50) SIRT5SIRT2SIRT1SIRT3
SCHEMBL16541321 0.87 MAPT (0.53) PSMB8PSMB9PSMB5
SCHEMBL19933134 0.86 PTGER4 (0.57) SIRT2SIRT1PSMB8PSMB9PSMB5
SCHEMBL17039853 0.86 FOLH1 (0.57) SIRT2SIRT1PSMB8PSMB9PSMB5
SCHEMBL18752310 0.86 SIRT2 (0.51) SIRT5SIRT2SIRT1SIRT3PSMB8

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
Send feedback