SCHEMBL4735696

SCHEMBL4735696

CC(CC(C)C(=O)N(C)C)OC(=O)NC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
CTSK P43235 1/20 0.32

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
SCHEMBL3222189 0.77 POLB (0.37) POLB
SCHEMBL3222193 0.77 POLB (0.37) POLB
SCHEMBL16912704 0.73 POLB (0.36) POLBCTSLCTSBCTSHCTSK
SCHEMBL21149652 0.73 POLB (0.36) POLBCTSLCTSBCTSHCTSK
SCHEMBL28603652 0.73 POLB (0.36) POLBCTSLCTSBCTSHCTSK
SCHEMBL16912703 0.73 POLB (0.36) POLBCTSLCTSBCTSHCTSK
SCHEMBL3216743 0.73 POLB (0.33) POLB
SCHEMBL3216751 0.73 POLB (0.33) POLB
SCHEMBL28966629 0.72 POLB (0.35) POLBCTSLCTSBCTSHCTSK
SCHEMBL27893659 0.72 POLB (0.35) POLBCTSLCTSBCTSHCTSK

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-2008074035-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-19 WO disclosed