SCHEMBL28974946

SCHEMBL28974946

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CCCNC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.52
▸ CTSK P43235 2/20 0.52
▸ CA2 P00918 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PSENEN Q9NZ42 1/20 0.40
▸ CAPN1 P07384 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL28974947 1.00 CTSS (0.52) CTSSCTSKCA2MEN1GAA
SCHEMBL23106074 0.88 CTSK (0.50) CTSSCTSKCA2MEN1GAA
SCHEMBL20328119 0.87 CTSK (0.60) CTSSCTSKCA2MEN1GAA
SCHEMBL22525018 0.87 CTSK (0.60) CTSSCTSKCA2MEN1GAA
SCHEMBL17581833 0.87 CTSS (0.52) CTSSCTSKCA2MEN1GAA
SCHEMBL12283739 0.87 CTSS (0.52) CTSSCTSKCA2MEN1GAA
SCHEMBL17902991 0.87 CTSS (0.52) CTSSCTSKCA2MEN1GAA
SCHEMBL25488736 0.87 CTSS (0.49) CTSSCTSKCA2MEN1GAA
SCHEMBL13436631 0.87 CTSS (0.52) CTSSCTSKCA2MEN1GAA
SCHEMBL14012280 0.87 CTSS (0.52) CTSSCTSKCA2MEN1GAA

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-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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