SCHEMBL16349736

SCHEMBL16349736

CC(=O)C(=O)[C@@H]1CCCCCCCCCC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3C([C@H]2C(=O)N1)C3(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.30

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
SCHEMBL16349817 1.00 NAAA (0.30) NAAA
SCHEMBL13685771 0.94 — —
SCHEMBL8291427 0.94 — —
SCHEMBL13685065 0.94 — —
SCHEMBL13685219 0.91 — —
SCHEMBL16349807 0.91 — —
SCHEMBL16349813 0.89 NAAA (0.31) NAAA
SCHEMBL16349802 0.89 NAAA (0.31) NAAA
SCHEMBL16349734 0.88 GAA (0.35) —
SCHEMBL16315715 0.88 GAA (0.35) —

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
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
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