SCHEMBL28974938

SCHEMBL28974938

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 3/20 0.39
▸ FURIN P09958 2/20 0.37
▸ SIRT1 Q96EB6 6/20 0.37
▸ CASP3 P42574 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SIRT5 Q9NXA8 2/20 0.37
▸ CASP7 P55210 1/20 0.36
▸ CASP9 P55211 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ CASP8 Q14790 1/20 0.36
▸ SIRT2 Q8IXJ6 6/20 0.36
▸ SIRT3 Q9NTG7 3/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL28974940 1.00 KLK7 (0.39) KLK7FURINSIRT1CASP3HTT
SCHEMBL28425032 0.92 KLK7 (0.37) KLK7FURINSIRT1CASP3HTT
SCHEMBL28425028 0.92 KLK7 (0.37) KLK7FURINSIRT1CASP3HTT
SCHEMBL29211699 0.92 SIRT1 (0.38) KLK7FURINSIRT1CASP3HTT
SCHEMBL29211700 0.92 SIRT1 (0.38) KLK7FURINSIRT1CASP3HTT
SCHEMBL28681266 0.91 FURIN (0.37) KLK7FURINSIRT1CASP3HTT
SCHEMBL28444425 0.87 SIRT5 (0.38) KLK7FURINSIRT1SIRT5SIRT2
SCHEMBL28631982 0.85 SIRT5 (0.44) SIRT1SIRT5SIRT2SIRT3
SCHEMBL28631983 0.85 SIRT5 (0.44) SIRT1SIRT5SIRT2SIRT3
SCHEMBL22702649 0.85 KLK7 (0.37) KLK7FURINSIRT1CASP3SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117136076-A MCL-1 inhibitor antibody drug conjugates and methods of use 诺华股份有限公司 2023-11-28 — — CN disclosed
CN-116761635-A BCL-XL inhibitor antibody drug conjugates and methods of use thereof 诺华股份有限公司 2023-09-15 — — CN disclosed
CN-114728077-A MCL-1 inhibitor antibody-drug conjugates and methods of use 诺华股份有限公司 2022-07-08 — — CN disclosed
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