SCHEMBL24276735

SCHEMBL24276735

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 13/20 0.49
▸ SIRT1 Q96EB6 12/20 0.49
▸ SIRT3 Q9NTG7 3/20 0.49
▸ SIRT5 Q9NXA8 4/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL16579973 0.92 SIRT2 (0.52) SIRT2SIRT1SIRT3SIRT5MEN1
SCHEMBL16579975 0.90 SIRT2 (0.44) SIRT2SIRT1SIRT3SIRT5MEN1
SCHEMBL16580030 0.90 SIRT2 (0.44) SIRT2SIRT1SIRT3SIRT5MEN1
SCHEMBL19783967 0.88 CA2 (0.51) SIRT2SIRT1SIRT3SIRT5MEN1
SCHEMBL20282050 0.88 CA2 (0.51) SIRT2SIRT1SIRT3SIRT5MEN1
SCHEMBL17484948 0.87 SIRT2 (0.48) SIRT2SIRT1SIRT3SIRT5
SCHEMBL19784482 0.86 SIRT2 (0.49) SIRT2SIRT1SIRT3SIRT5
SCHEMBL22387920 0.86 SIRT2 (0.55) SIRT2SIRT1SIRT3SIRT5MEN1
SCHEMBL13814439 0.86 SIRT2 (0.55) SIRT2SIRT1SIRT3SIRT5MEN1
SCHEMBL22387792 0.85 SIRT2 (0.54) SIRT2SIRT1SIRT3SIRT5MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4213884-A1 MOLECULES WITH SOLUBILITY TAG AND RELATED METHODS Merck Patent GmbH (DE) 2023-07-26 — — EP disclosed
WO-2022058548-A1 MOLECULES WITH SOLUBILITY TAG AND RELATED METHODS MERCK PATENT GMBH (DE) 2022-03-24 — — WO disclosed
WO-2022058548-A1 MOLECULES WITH SOLUBILITY TAG AND RELATED METHODS MERCK PATENT GMBH (DE) 2022-03-24 — — WO disclosed
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