SCHEMBL21728798

SCHEMBL21728798

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 10/20 0.41
▸ SIRT1 Q96EB6 9/20 0.41
▸ SIRT3 Q9NTG7 3/20 0.41
▸ SIRT5 Q9NXA8 3/20 0.41
▸ HTT P42858 1/20 0.40
▸ FURIN P09958 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAP1LC3B Q9GZQ8 1/20 0.37

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
SCHEMBL20126461 0.92 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL18822243 0.92 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL24220963 0.92 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL19622145 0.92 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL25655950 0.91 FURIN (0.41) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL16769624 0.91 FURIN (0.41) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL22268356 0.90 SIRT2 (0.44) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL24220965 0.90 SIRT2 (0.44) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL25124339 0.90 FURIN (0.43) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL24115319 0.89 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5HTT

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
EP-3610889-A1 PROTEIN-ACTIVE AGENT CONJUGATES AND METHOD FOR PREPARING THE SAME LegoChem Biosciences, Inc. (KR) 2020-02-19 — — EP disclosed
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