SCHEMBL8285988

SCHEMBL8285988

CCC[C@@H](C=O)NC(=O)OC(C)C

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.64
CTSL P07711 5/20 0.51
CTSB P07858 5/20 0.51
CTSH P09668 2/20 0.51
ALOX15 P16050 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
SCHEMBL1991650 0.83 CTSK (0.60) CTSKCTSLCTSBCTSH
SCHEMBL5674723 0.79 CTSK (0.53) CTSKCTSLCTSBCTSH
SCHEMBL418758 0.77 CTSK (0.63) CTSK
SCHEMBL12635080 0.77 CTSK (0.63) CTSK
SCHEMBL3667036 0.77 CTSK (0.63) CTSK
SCHEMBL15715052 0.77 ALOX15 (0.47) CTSKALOX15
SCHEMBL13245698 0.77 CTSK (0.49) CTSKCTSLCTSBCTSH
SCHEMBL15757825 0.76 CTSK (0.61) CTSKCTSLCTSBCTSH
SCHEMBL328961 0.75 CTSK (0.50) CTSKCTSLCTSBCTSH
SCHEMBL56438 0.75 CTSK (0.50) CTSKCTSLCTSBCTSH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2368878-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP disclosed
WO-2005058821-A1 INHIBITORS OF HEPATITIS C VIRUS NS3/NS4A SERINE PROTEASE SCHERING CORPORATION (US) 2005-06-30 WO disclosed