SCHEMBL24864606

SCHEMBL24864606

CC(C)C(N)C(=O)N[C@@H](CCCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)C(=O)Nc1ccc(COC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 13/20 0.47
▸ SIRT1 Q96EB6 11/20 0.47
▸ SIRT5 Q9NXA8 6/20 0.45
▸ SIRT3 Q9NTG7 3/20 0.43

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
SCHEMBL24864590 0.90 SIRT1 (0.40) SIRT2SIRT1SIRT5SIRT3
SCHEMBL20442348 0.82 SIRT2 (0.45) SIRT2SIRT1SIRT5SIRT3
SCHEMBL24864619 0.79 FOLH1 (0.40) SIRT2SIRT1SIRT5SIRT3
SCHEMBL27291574 0.79 FURIN (0.42) SIRT2SIRT1SIRT5SIRT3
SCHEMBL24864575 0.79 SIRT5 (0.39) SIRT2SIRT1SIRT5SIRT3
SCHEMBL24864470 0.78 SIRT1 (0.39) SIRT2SIRT1SIRT5SIRT3
SCHEMBL24864605 0.78 SIRT5 (0.42) SIRT5
SCHEMBL24864394 0.77 GLP1R (0.40) SIRT2SIRT1SIRT5
SCHEMBL24864633 0.76 QRFPR (0.38) SIRT2SIRT1SIRT5
SCHEMBL24094770 0.76 SIRT2 (0.44) SIRT2SIRT1SIRT5SIRT3

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-2023280227-A2 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2023-01-12 — — WO disclosed
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