SCHEMBL29179618

SCHEMBL29179618

CC(C)CC(NC(=O)C(N)=O)C(=O)NC(CC1CCNC1=O)C(=O)COC(F)(F)F

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.57
▸ CTSB P07858 3/20 0.57
▸ CTSV O60911 1/20 0.57
▸ CTSS P25774 1/20 0.57
▸ CTSK P43235 1/20 0.57

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
SCHEMBL25855508 1.00 CTSL (0.57) CTSLCTSBCTSVCTSSCTSK
SCHEMBL25862533 1.00 CTSL (0.57) CTSLCTSBCTSVCTSSCTSK
SCHEMBL24939169 0.90 CTSL (0.57) CTSLCTSBCTSVCTSSCTSK
SCHEMBL25855435 0.89 CTSL (0.53) CTSLCTSBCTSVCTSSCTSK
SCHEMBL25862192 0.89 CTSL (0.53) CTSLCTSBCTSVCTSSCTSK
SCHEMBL24939396 0.89 CTSB (0.55) CTSLCTSBCTSVCTSSCTSK
SCHEMBL25856060 0.89 CTSL (0.62) CTSLCTSBCTSVCTSSCTSK
SCHEMBL30852952 0.89 CTSL (0.53) CTSLCTSBCTSS
SCHEMBL29179563 0.89 CTSL (0.53) CTSLCTSBCTSS
SCHEMBL29179559 0.89 CTSL (0.53) CTSLCTSBCTSS

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
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
Send feedback