SCHEMBL28953170

SCHEMBL28953170

NC(=O)NCCC[C@H](NC(=O)C1(C(=O)NCCCCCN2C(=O)C=CC2=O)CCC1)C(=O)Nc1ccc(COC(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 13/20 0.38
▸ SIRT1 Q96EB6 12/20 0.38
▸ SIRT3 Q9NTG7 4/20 0.38
▸ SIRT5 Q9NXA8 5/20 0.38
▸ FAP Q12884 1/20 0.35

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
SCHEMBL19683931 0.95 SIRT2 (0.37) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL22698603 0.93 SIRT2 (0.35) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL20830828 0.92 SIRT2 (0.34) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL16847844 0.90 OPRM1 (0.33) SIRT2SIRT1SIRT3FAP
SCHEMBL17801960 0.90 ITGB1 (0.34) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL17813693 0.89 RAB9A (0.36) SIRT2SIRT1SIRT3FAP
SCHEMBL17650868 0.88 HDAC3 (0.32) SIRT2SIRT1FAP
SCHEMBL21695294 0.88 HDAC3 (0.37) SIRT2SIRT1FAP
SCHEMBL19803950 0.87 HTR2A (0.37) SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL16847982 0.87 HTR2A (0.37) SIRT2SIRT1SIRT3SIRT5FAP

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
CN-109476648-B Sevelamer antibody-drug conjugates and methods of use 豪夫迈·罗氏有限公司 2022-09-13 — — CN disclosed
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