SCHEMBL28342732

SCHEMBL28342732

COC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.48
▸ CTSS P25774 3/20 0.48
▸ PSENEN Q9NZ42 1/20 0.44
▸ CA2 P00918 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ BACE1 P56817 3/20 0.40
▸ CAPN1 P07384 1/20 0.39
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL17209941 1.00 CTSK (0.48) CTSKCTSSPSENENCA2MEN1
SCHEMBL23106074 0.91 CTSK (0.50) CTSKCTSSCA2MEN1GAA
SCHEMBL13436631 0.90 CTSS (0.52) CTSKCTSSCA2MEN1GAA
SCHEMBL14012280 0.90 CTSS (0.52) CTSKCTSSCA2MEN1GAA
SCHEMBL12283739 0.90 CTSS (0.52) CTSKCTSSCA2MEN1GAA
SCHEMBL17902991 0.90 CTSS (0.52) CTSKCTSSCA2MEN1GAA
SCHEMBL17581833 0.90 CTSS (0.52) CTSKCTSSCA2MEN1GAA
SCHEMBL25459969 0.89 CTSK (0.48) CTSKCTSSCA2MEN1GAA
SCHEMBL23998665 0.86 CTSS (0.51) CTSKCTSSCA2MEN1GAA
SCHEMBL28974946 0.86 CTSS (0.52) CTSKCTSSPSENENCA2MEN1

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-108650882-B Compositions for treating cancers expressing IGF-1R 皮埃尔法布雷医药公司 2021-09-17 — — CN disclosed
CN-106470708-B Antibody-drug-conjugates and their use for the treatment of cancer 皮埃尔法布雷医药公司 2019-12-31 — — CN disclosed
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