SCHEMBL29019197

SCHEMBL29019197

CNC(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 8/20 0.44
▸ SIRT1 Q96EB6 7/20 0.44
▸ SIRT3 Q9NTG7 3/20 0.44
▸ CA2 P00918 2/20 0.43
▸ SIRT5 Q9NXA8 4/20 0.43
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ CA1 P00915 1/20 0.40

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
SCHEMBL17211599 1.00 SIRT2 (0.44) SIRT2SIRT1SIRT3CA2SIRT5
SCHEMBL26008482 0.92 CA2 (0.44) SIRT2SIRT1SIRT3CA2SIRT5
SCHEMBL17484948 0.90 SIRT2 (0.48) SIRT2SIRT1SIRT3SIRT5
SCHEMBL27109512 0.90 SIRT2 (0.45) SIRT2SIRT1SIRT3SIRT5
SCHEMBL24476305 0.89 CA2 (0.46) CA2SIRT5MMP1MMP3MMP9
SCHEMBL17902993 0.89 CA2 (0.46) CA2SIRT5MMP1MMP3MMP9
SCHEMBL14012279 0.89 CA2 (0.46) CA2SIRT5MMP1MMP3MMP9
SCHEMBL12283259 0.89 CA2 (0.46) CA2SIRT5MMP1MMP3MMP9
SCHEMBL17484949 0.89 CA2 (0.46) CA2SIRT5CA1
SCHEMBL20158426 0.89 CA2 (0.46) CA2SIRT5MMP1MMP3MMP9

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-115916802-A Site-specific antibody conjugate and preparation method thereof 岩唐生物科技(杭州)有限责任公司 2023-04-04 — — CN disclosed
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