SCHEMBL28444433

SCHEMBL28444433

CC(C)C(NC(=O)O)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(CO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 5/20 0.41
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ SIRT2 Q8IXJ6 8/20 0.39
▸ SIRT1 Q96EB6 7/20 0.39
▸ SIRT3 Q9NTG7 3/20 0.39
▸ SIRT5 Q9NXA8 2/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL21597894 0.89 SIRT2 (0.37) FURINSMN1; SMN2SIRT2SIRT1SIRT3
SCHEMBL21597895 0.89 SIRT2 (0.37) FURINSMN1; SMN2SIRT2SIRT1SIRT3
SCHEMBL22691031 0.89 SIRT5 (0.36) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL22691029 0.89 SIRT5 (0.36) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL28444432 0.86 SIRT5 (0.36) FURINSMN1; SMN2SIRT2SIRT1SIRT3
SCHEMBL25362533 0.86 HTT (0.35) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL25362522 0.86 HTT (0.35) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL22691235 0.85 SIRT5 (0.34) FURINHTTSMN1; SMN2SIRT5
SCHEMBL22691237 0.85 SIRT5 (0.34) FURINHTTSMN1; SMN2SIRT5
SCHEMBL21814716 0.84 SIRT2 (0.47) FURINHTTSIRT2SIRT1SIRT3

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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