SCHEMBL30819701

SCHEMBL30819701

CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(N)=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.41

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
SCHEMBL30001761 0.95 CTSS (0.46) CTSLCTSSCTSKCTSBAAK1
SCHEMBL24691128 0.95 CTSS (0.46) CTSLCTSSCTSKCTSBAAK1
SCHEMBL30819685 0.90 CTSL (0.46) CTSLCTSB
SCHEMBL30001969 0.89 CTSS (0.53) CTSLCTSSCTSKCTSBAAK1
SCHEMBL24691130 0.89 CTSS (0.53) CTSLCTSSCTSKCTSBAAK1
SCHEMBL23824309 0.88 CTSS (0.48) CTSLCTSSCTSKCTSBAAK1
SCHEMBL23824306 0.88 CTSS (0.48) CTSLCTSSCTSKCTSBAAK1
SCHEMBL30819699 0.86 CTSS (0.49) CTSLCTSSCTSKCTSB
SCHEMBL24113161 0.85 — —
SCHEMBL24013950 0.85 CTSL (0.42) CTSL

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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