SCHEMBL30819660

SCHEMBL30819660

CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.51
▸ CTSK P43235 2/20 0.51
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47

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
SCHEMBL30819699 0.96 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL30819703 0.88 CTSL (0.60) CTSSCTSLCTSB
SCHEMBL24960431 0.87 CTSV (0.55) CTSSCTSK
SCHEMBL30001761 0.87 CTSS (0.46) CTSSCTSKCTSLCTSB
SCHEMBL24691128 0.87 CTSS (0.46) CTSSCTSKCTSLCTSB
SCHEMBL25293067 0.85 CTSS (0.54) CTSSCTSKCTSLCTSB
SCHEMBL24113469 0.85 CTSS (0.54) CTSSCTSKCTSLCTSB
SCHEMBL30819701 0.83 CTSL (0.44) CTSSCTSKCTSLCTSB
SCHEMBL24020458 0.82 CTSS (0.51) CTSSCTSKCTSLCTSB
SCHEMBL24112532 0.82 CTSS (0.51) 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
WO-2024086777-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES CAUSED BY VIRUSES AND BACTERIA THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-04-25 — — WO disclosed
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