SCHEMBL6991042

SCHEMBL6991042

C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)C=[N+]=[N-]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.39
CTSS P25774 3/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CYP2D6 P10635 1/20 0.35
PREP P48147 1/20 0.34
CTSL P07711 3/20 0.34
CTSB P07858 2/20 0.34
TRPA1 O75762 1/20 0.34
ELANE P08246 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
SCHEMBL7079066 1.00 CTSK (0.39) CTSKCTSSCA1CA2CA7
SCHEMBL6487635 1.00 CTSK (0.39) CTSKCTSSCA1CA2CA7
SCHEMBL7079069 1.00 CTSK (0.39) CTSKCTSSCA1CA2CA7
SCHEMBL7121346 0.87 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL7121352 0.87 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL31402214 0.87 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL30150868 0.80 CA1 (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL30148499 0.80 CA1 (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL15797149 0.80 CA1 (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL2418915 0.77 CTSK (0.49) CTSKCTSSCA1CA2CA7

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-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 WO disclosed