SCHEMBL17574493

SCHEMBL17574493

COC(=O)[C@@]12C[C@H]1C=CCCCCN(C)C(=O)[C@@H]1CC[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]1C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.40

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
SCHEMBL6844967 0.83 CTSB (0.46) CTSBCTSS
SCHEMBL11929778 0.81 CTSB (0.46) CTSBCTSS
SCHEMBL1927692 0.81 CTSB (0.46) CTSBCTSS
SCHEMBL6844970 0.81 CTSB (0.46) CTSBCTSS
SCHEMBL11905237 0.80 CTSB (0.34) CTSB
SCHEMBL12470807 0.80 CTSB (0.34) CTSB
SCHEMBL1926348 0.78 CTSB (0.45) CTSBCTSS
SCHEMBL6844968 0.78 CTSB (0.45) CTSBCTSS
SCHEMBL11929776 0.73 CTSB (0.44) CTSBCTSS
SCHEMBL13502724 0.72 CTSB (0.39) CTSBCTSS

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-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 — — US disclosed
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