SCHEMBL30140804

SCHEMBL30140804

CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1F)C(=O)NC(C[C@@H]1CCNC1=O)C(=O)COC(=O)OC(C)C

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.47
▸ CTSB P07858 2/20 0.47
▸ CAPN1 P07384 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
SCHEMBL30140602 1.00 CTSL (0.47) CTSLCTSBCAPN1
SCHEMBL24965313 1.00 CTSL (0.47) CTSLCTSBCAPN1
SCHEMBL30140585 0.95 CTSB (0.48) CTSB
SCHEMBL24962682 0.95 CTSB (0.48) CTSB
SCHEMBL30140566 0.92 CTSL (0.48) CTSLCTSBCAPN1
SCHEMBL24963615 0.92 CTSL (0.48) CTSLCTSBCAPN1
SCHEMBL24965395 0.90 CTSL (0.47) CTSLCTSBCAPN1
SCHEMBL30140607 0.90 CTSL (0.47) CTSLCTSBCAPN1
SCHEMBL24710328 0.90 CTSL (0.51) CTSLCTSBCAPN1
SCHEMBL30133373 0.90 CTSL (0.51) CTSLCTSBCAPN1

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-2022266363-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-22 — — WO disclosed
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