SCHEMBL27148471

SCHEMBL27148471

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](OC(N)=O)C(=O)NCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 5/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ SIRT1 Q96EB6 2/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ ALB P02768 1/20 0.32
▸ FAP Q12884 2/20 0.32
▸ MAP1LC3B Q9GZQ8 1/20 0.31
▸ NPY1R P25929 1/20 0.31
▸ NPY4R P50391 1/20 0.31
▸ KLKB1 P03952 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GLP1R P43220 1/20 0.31

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
SCHEMBL27213475 0.91 SIRT2 (0.36) FURINROCK2SIRT5SIRT1SIRT2
SCHEMBL19681567 0.89 FURIN (0.39) FURINSIRT5FAPMAP1LC3BNPY1R
SCHEMBL15699736 0.84 FURIN (0.40) FURINSIRT5SIRT1MAP1LC3BNPY1R
SCHEMBL25787504 0.84 FURIN (0.40) FURINSIRT5SIRT1MAP1LC3BNPY1R
SCHEMBL30297062 0.83 HTT (0.41) FURINSIRT1SIRT2MAP1LC3BNPY1R
SCHEMBL27447192 0.83 FURIN (0.39) FURINROCK2NPY1RNPY4RKLKB1
SCHEMBL22138596 0.83 FURIN (0.39) FURINROCK2NPY1RNPY4RKLKB1
SCHEMBL20705515 0.83 FURIN (0.39) FURINROCK2NPY1RNPY4RKLKB1
SCHEMBL30988370 0.83 FURIN (0.41) FURINKLKB1HTT
SCHEMBL30874648 0.83 TLR2 (0.41) SIRT5SIRT1SIRT2

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-2024043319-A1 ANTIBODY-DRUG COMPLEX エーザイ・アール・アンド・ディー・マネジメント株式会社 2024-02-29 — — WO disclosed
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