SCHEMBL30291597

SCHEMBL30291597

CCC[C@H](NC)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.43
▸ CTSB P07858 3/20 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
SCHEMBL24113124 0.87 CTSL (0.48) CTSLCTSB
SCHEMBL24112485 0.86 CTSL (0.41) CTSLCTSB
SCHEMBL24450259 0.86 CTSL (0.49) CTSLCTSB
SCHEMBL24020662 0.85 CTSL (0.39) CTSLCTSB
SCHEMBL29062687 0.81 CTSB (0.43) CTSLCTSB
SCHEMBL29062688 0.81 CTSB (0.43) CTSLCTSB
SCHEMBL24112616 0.81 CTSB (0.43) CTSLCTSB
SCHEMBL24029103 0.80 CTSL (0.42) CTSLCTSB
SCHEMBL29096142 0.80 CTSB (0.47) CTSLCTSB
SCHEMBL29096143 0.80 CTSB (0.47) CTSLCTSB

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-2022265577-A2 CORONAVIRUS ENZYME MODULATORS, METHODS OF SYNTHESIS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-12-22 — — WO disclosed
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