SCHEMBL29062824

SCHEMBL29062824

CC(C)(C)OC(=O)NC(CC1CC1)C(=O)NC(CC1CCCNC1=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.52
▸ CTSK P43235 2/20 0.52
▸ CTSL P07711 3/20 0.48
▸ CTSB P07858 2/20 0.48
▸ IDO1 P14902 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.43

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
SCHEMBL23824452 1.00 CTSS (0.52) CTSSCTSKCTSLCTSBIDO1
SCHEMBL23824449 1.00 CTSS (0.52) CTSSCTSKCTSLCTSBIDO1
SCHEMBL29063284 0.94 CTSL (0.54) CTSSCTSKCTSLCTSBIDO1
SCHEMBL29063289 0.94 CTSL (0.54) CTSSCTSKCTSLCTSBIDO1
SCHEMBL29062838 0.94 CTSL (0.54) CTSSCTSKCTSLCTSBIDO1
SCHEMBL30009598 0.94 CTSL (0.54) CTSSCTSKCTSLCTSBIDO1
SCHEMBL19586956 0.92 IDO1 (0.50) CTSSCTSKCTSLIDO1
SCHEMBL19586958 0.92 IDO1 (0.50) CTSSCTSKCTSLIDO1
SCHEMBL19586954 0.92 IDO1 (0.50) CTSSCTSKCTSLIDO1
SCHEMBL23824331 0.91 CTSS (0.56) CTSSCTSKCTSLCTSB

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-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 — — CN disclosed
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