SCHEMBL17039814

SCHEMBL17039814

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 15/20 0.58
▸ SIRT1 Q96EB6 13/20 0.58
▸ SIRT3 Q9NTG7 4/20 0.58
▸ SIRT5 Q9NXA8 3/20 0.56
▸ KLK7 P49862 1/20 0.49
▸ KLK5 Q9Y337 1/20 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
SCHEMBL17039859 0.94 SIRT5 (0.56) SIRT2SIRT1SIRT3SIRT5
SCHEMBL17039813 0.93 SIRT2 (0.59) SIRT2SIRT1SIRT3SIRT5
SCHEMBL17039831 0.89 SIRT5 (0.61) SIRT2SIRT1SIRT3SIRT5KLK7
SCHEMBL17039855 0.86 SIRT5 (0.57) SIRT2SIRT1SIRT3SIRT5
SCHEMBL17750718 0.86 SIRT5 (0.57) SIRT2SIRT1SIRT3SIRT5
SCHEMBL17750717 0.85 SIRT5 (0.56) SIRT2SIRT1SIRT3SIRT5
SCHEMBL5308048 0.85 SIRT5 (0.59) SIRT2SIRT1SIRT3SIRT5
SCHEMBL8244805 0.85 SIRT5 (0.59) SIRT2SIRT1SIRT3SIRT5
SCHEMBL17040116 0.85 MEN1 (0.56) SIRT2SIRT1SIRT3
SCHEMBL17040013 0.84 SIRT2 (0.55) SIRT2SIRT1SIRT3SIRT5

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
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