SCHEMBL28631982

SCHEMBL28631982

CC(C)[C@H](OC(N)=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCCN)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 4/20 0.44
▸ CPB1 P15086 1/20 0.44
▸ CPB2 Q96IY4 1/20 0.44
▸ SIRT2 Q8IXJ6 10/20 0.43
▸ SIRT1 Q96EB6 9/20 0.43
▸ SIRT3 Q9NTG7 4/20 0.43
▸ MMP3 P08254 2/20 0.42

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
SCHEMBL28631983 1.00 SIRT5 (0.44) SIRT5CPB1CPB2SIRT2SIRT1
SCHEMBL29211699 0.87 SIRT1 (0.38) SIRT5SIRT2SIRT1SIRT3
SCHEMBL29211700 0.87 SIRT1 (0.38) SIRT5SIRT2SIRT1SIRT3
SCHEMBL21814715 0.86 SIRT2 (0.47) SIRT5CPB1CPB2SIRT2SIRT1
SCHEMBL21814716 0.86 SIRT2 (0.47) SIRT5CPB1CPB2SIRT2SIRT1
SCHEMBL26153675 0.86 SIRT2 (0.45) SIRT5CPB1CPB2SIRT2SIRT1
SCHEMBL28425032 0.85 KLK7 (0.37) SIRT5SIRT2SIRT1SIRT3
SCHEMBL28974940 0.85 KLK7 (0.39) SIRT5SIRT2SIRT1SIRT3
SCHEMBL28425028 0.85 KLK7 (0.37) SIRT5SIRT2SIRT1SIRT3
SCHEMBL28974938 0.85 KLK7 (0.39) 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
CN-113453724-A Sulfonylmaleimide-based linkers and corresponding conjugates 皮埃尔法布雷医药公司 2021-09-28 — — CN disclosed
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