SCHEMBL7747684

SCHEMBL7747684

CCCCC(NC(=O)OC(C)(C)C)(NC(=O)OC(C)(C)C)C(CCCCCCN)CNC(CCC)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.38
CTSS P25774 2/20 0.36
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL7747693 0.83 CTSK (0.34) CTSKCTSSITGB3ITGA2B
SCHEMBL3290839 0.77 CTSK (0.35) CTSKCTSS
SCHEMBL10431195 0.69 CA1 (0.45) CTSKCTSSITGB3ITGA2B
SCHEMBL8525452 0.69 ITGB3 (0.42) CTSKCTSSITGB3ITGA2B
SCHEMBL28244975 0.68 CTSK (0.59) CTSKCTSS
SCHEMBL30466181 0.68 CTSK (0.50) CTSKCTSSITGB3ITGA2B
SCHEMBL31394931 0.68 CTSK (0.50) CTSKCTSSITGB3ITGA2B
SCHEMBL15415011 0.67 CA1 (0.42) CTSKCTSSITGB3ITGA2B
SCHEMBL4382302 0.67 CA1 (0.46) CTSKCTSSITGB3ITGA2B
SCHEMBL30466182 0.67 CTSK (0.52) CTSKCTSSITGB3ITGA2B

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-1070047-A2 LIPIDS Celltech Chiroscience Limited (GB) 2001-01-24 EP disclosed
WO-1999052858-A2 LIPIDS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-21 WO disclosed