SCHEMBL8290299

SCHEMBL8290299

CC(C)(C)OC(=O)C(NC(=O)N[C@H]1CCCCCCCCCC[C@@H](C(=O)C(N)=O)NC(=O)C2C3C(CN2C1=O)C3(C)C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ CMA1 P23946 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CTSF Q9UBX1 1/20 0.35

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
SCHEMBL13685078 1.00 CTSV (0.35) CTSVCTSLCTSBELANECMA1
SCHEMBL12608361 1.00 CTSV (0.35) CTSVCTSLCTSBELANECMA1
SCHEMBL16349671 0.95 CTSV (0.33) CTSVCTSLCTSBELANECMA1
SCHEMBL16349686 0.95 CTSV (0.33) CTSVCTSLCTSBELANECMA1
SCHEMBL13685337 0.90 CTSV (0.34) CTSVCTSLCTSBELANECMA1
SCHEMBL13685005 0.90 CTSV (0.34) CTSVCTSLCTSBELANECMA1
SCHEMBL13685690 0.89 CTSV (0.35) CTSVCTSLCTSBELANECMA1
SCHEMBL13685318 0.87 F2 (0.34) —
SCHEMBL8290298 0.87 F2 (0.34) —
SCHEMBL7858719 0.87 F2 (0.34) —

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-2005030796-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-04-07 — — WO disclosed
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