SCHEMBL30852783

SCHEMBL30852783

CC(C)C[C@H](NC[C@H](O)C(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.54
▸ CTSB P07858 3/20 0.54
▸ CTSV O60911 1/20 0.54
▸ CTSS P25774 1/20 0.54
▸ CTSK P43235 1/20 0.54

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
SCHEMBL24939502 0.88 CTSL (0.57) CTSLCTSBCTSVCTSSCTSK
SCHEMBL25855672 0.87 CTSL (0.57) CTSLCTSBCTSVCTSSCTSK
SCHEMBL25856060 0.86 CTSL (0.62) CTSLCTSBCTSVCTSSCTSK
SCHEMBL25855700 0.85 CTSL (0.57) CTSLCTSBCTSVCTSSCTSK
SCHEMBL24939421 0.85 CTSL (0.57) CTSLCTSBCTSVCTSSCTSK
SCHEMBL24939169 0.85 CTSL (0.57) CTSLCTSBCTSVCTSSCTSK
SCHEMBL25856030 0.85 CTSL (0.65) CTSLCTSBCTSVCTSSCTSK
SCHEMBL24939124 0.85 CTSL (0.59) CTSLCTSBCTSVCTSSCTSK
SCHEMBL25855708 0.85 CTSL (0.59) CTSLCTSBCTSVCTSSCTSK
SCHEMBL24938591 0.85 CTSL (0.55) CTSLCTSBCTSVCTSSCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794896-A Protease inhibitors for the treatment of coronavirus infections 斯克里普斯研究学院 2024-03-29 — — CN claimed
CN-117794896-A Protease inhibitors for the treatment of coronavirus infections 斯克里普斯研究学院 2024-03-29 — — CN disclosed
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