SCHEMBL26273239

SCHEMBL26273239

CCOCCOCCOCCOCCC(=O)NCC(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.44
SIRT1 Q96EB6 13/20 0.44
SIRT3 Q9NTG7 5/20 0.40
SIRT5 Q9NXA8 3/20 0.39
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRND Q07001 1/20 0.36

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
SCHEMBL24395102 0.86 SIRT2 (0.35) SIRT2SIRT1SIRT3CHRNA1CHRNG
SCHEMBL21167802 0.84 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5CHRND
SCHEMBL24728294 0.84 SIRT2 (0.46) SIRT2SIRT1SIRT3SIRT5
SCHEMBL20197894 0.82 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5
SCHEMBL25774207 0.82 SIRT2 (0.46) SIRT2SIRT1SIRT3SIRT5
SCHEMBL15699830 0.81 SIRT5 (0.39) SIRT2SIRT1SIRT3SIRT5CHRNA1
SCHEMBL23347043 0.81 OPRK1 (0.38) SIRT2SIRT1SIRT3SIRT5
SCHEMBL20078727 0.81 SIRT2 (0.34) SIRT2SIRT1SIRT3SIRT5CHRNA1
SCHEMBL15699834 0.80 MAP1LC3B (0.39) SIRT2SIRT1SIRT3SIRT5
SCHEMBL20043710 0.80 SIRT2 (0.46) 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-2023173026-A1 ANTIBODY-DRUG CONJUGATES AND USES THEREOF SORRENTO THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed