SCHEMBL7747693

SCHEMBL7747693

CCCC(NCC(CCCCCCN)C(N)(C(=O)OC(C)(C)C)C(CCC)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.34
CTSS P25774 2/20 0.34
ITGB3 P05106 7/20 0.33
ITGA2B P08514 7/20 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
SCHEMBL7747684 0.83 CTSK (0.38) CTSKCTSSITGB3ITGA2B
SCHEMBL4519161 0.78 CTSK (0.32) CTSKCTSSITGB3ITGA2B
SCHEMBL10431195 0.67 CA1 (0.45) CTSKCTSSITGB3ITGA2B
SCHEMBL8525452 0.67 ITGB3 (0.42) CTSKCTSSITGB3ITGA2B
SCHEMBL25533140 0.67 CTSK (0.51) CTSKCTSS
SCHEMBL15415011 0.66 CA1 (0.42) CTSKCTSSITGB3ITGA2B
SCHEMBL4382302 0.66 CA1 (0.46) CTSKCTSSITGB3ITGA2B
SCHEMBL28668062 0.66 CTSK (0.50) CTSKCTSS
SCHEMBL28668065 0.66 CTSK (0.50) CTSKCTSS
SCHEMBL25985137 0.66 CTSK (0.50) CTSKCTSS

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