SCHEMBL25140406

SCHEMBL25140406

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.42
▸ CTSK P43235 2/20 0.42
▸ BACE1 P56817 15/20 0.41
▸ CA2 P00918 1/20 0.38
▸ BACE2 Q9Y5Z0 1/20 0.37

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
SCHEMBL25459969 0.84 CTSK (0.48) CTSSCTSKBACE1CA2
SCHEMBL23106074 0.83 CTSK (0.50) CTSSCTSKBACE1CA2
SCHEMBL14012280 0.82 CTSS (0.52) CTSSCTSKBACE1CA2
SCHEMBL12283739 0.82 CTSS (0.52) CTSSCTSKBACE1CA2
SCHEMBL17902991 0.82 CTSS (0.52) CTSSCTSKBACE1CA2
SCHEMBL17581833 0.82 CTSS (0.52) CTSSCTSKBACE1CA2
SCHEMBL13436631 0.82 CTSS (0.52) CTSSCTSKBACE1CA2
SCHEMBL17209941 0.81 CTSK (0.48) CTSSCTSKBACE1CA2
SCHEMBL28342732 0.81 CTSK (0.48) CTSSCTSKBACE1CA2
SCHEMBL25140428 0.80 CTSS (0.40) CTSSCTSKBACE1CA2BACE2

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
WO-2023061482-A1 EPHA2 BICYCLIC PEPTIDE LIGAND AND CONJUGATE THEREOF 海思科医药集团股份有限公司 2023-04-20 — — WO disclosed
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