SCHEMBL28444432

SCHEMBL28444432

CC(C)[C@H](OC(N)=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 5/20 0.36
▸ SIRT2 Q8IXJ6 8/20 0.35
▸ SIRT1 Q96EB6 7/20 0.35
▸ SIRT3 Q9NTG7 3/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FURIN P09958 2/20 0.34
▸ ADAM10 O14672 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ ADAM8 P78325 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY4R P50391 1/20 0.33

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
SCHEMBL21597895 0.89 SIRT2 (0.37) SIRT5SIRT2SIRT1SIRT3NPC1
SCHEMBL21597894 0.89 SIRT2 (0.37) SIRT5SIRT2SIRT1SIRT3NPC1
SCHEMBL28687742 0.89 SIRT5 (0.35) SIRT5SIRT2SIRT1SMN1; SMN2ADAM10
SCHEMBL28687744 0.89 SIRT5 (0.35) SIRT5SIRT2SIRT1SMN1; SMN2ADAM10
SCHEMBL28444433 0.86 FURIN (0.41) SIRT5SIRT2SIRT1SIRT3NPC1
SCHEMBL28974940 0.85 KLK7 (0.39) SIRT5SIRT2SIRT1SIRT3SMN1; SMN2
SCHEMBL29211700 0.85 SIRT1 (0.38) SIRT5SIRT2SIRT1SIRT3SMN1; SMN2
SCHEMBL28974938 0.85 KLK7 (0.39) SIRT5SIRT2SIRT1SIRT3SMN1; SMN2
SCHEMBL28425028 0.85 KLK7 (0.37) SIRT5SIRT2SIRT1SIRT3SMN1; SMN2
SCHEMBL28425032 0.85 KLK7 (0.37) SIRT5SIRT2SIRT1SIRT3SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111533778-B Industrial production method of antibody-coupled drug connector 上海皓元生物医药科技有限公司 2023-04-25 — — CN disclosed
CN-111533778-A Industrial production method of antibody-conjugated drug linker 上海皓元生物医药科技有限公司 2020-08-14 — — CN disclosed
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