SCHEMBL30402129

SCHEMBL30402129

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.64
▸ CTSK P43235 3/20 0.64
▸ TSHR P16473 1/20 0.62
▸ BACE1 P56817 13/20 0.54
▸ BACE2 Q9Y5Z0 1/20 0.50
▸ CA2 P00918 1/20 0.47
▸ REN P00797 1/20 0.44

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
SCHEMBL15113474 0.90 CTSS (0.60) CTSSCTSKTSHRBACE1BACE2
SCHEMBL22648530 0.89 CTSS (0.60) CTSSCTSKTSHRBACE1BACE2
SCHEMBL10144064 0.86 CTSS (0.57) CTSSCTSKTSHRBACE1BACE2
SCHEMBL11698208 0.84 CTSS (0.55) CTSSCTSKTSHRBACE1BACE2
SCHEMBL20628143 0.84 BACE1 (0.52) CTSSCTSKTSHRBACE1BACE2
SCHEMBL29576064 0.84 BACE1 (0.52) CTSSCTSKTSHRBACE1BACE2
SCHEMBL10727619 0.84 CTSS (0.62) CTSSCTSKTSHRBACE1BACE2
SCHEMBL478905 0.83 CTSS (0.68) CTSSCTSKTSHRCA2
SCHEMBL352156 0.83 CTSS (0.68) CTSSCTSKTSHRCA2
SCHEMBL4395744 0.83 CTSS (0.68) CTSSCTSKTSHRCA2

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-116077686-A Enzyme-cleavable Linker and application thereof 苏州智核生物医药科技有限公司 2023-05-09 — — CN disclosed
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