SCHEMBL8143993

SCHEMBL8143993

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.48
CTSS P25774 1/20 0.46
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL464525 1.00 CTSK (0.48) CTSKCTSSSIRT6SIRT1ITGB3
SCHEMBL9439085 0.90 CTSK (0.58) CTSKCTSS
SCHEMBL464524 0.88 CTSK (0.46) CTSKCTSS
SCHEMBL17265668 0.87 CTSK (0.48) CTSKCTSS
SCHEMBL31549494 0.87 CTSK (0.48) CTSKCTSS
SCHEMBL15743644 0.85 CTSK (0.44) CTSKCTSS
SCHEMBL445007 0.85 CTSK (0.44) CTSKCTSSSIRT6SIRT1ITGB3
SCHEMBL9538440 0.85 CTSK (0.54) CTSKCTSS
SCHEMBL15821190 0.85 CTSK (0.46) CTSKCTSSSIRT6SIRT1ITGB3
SCHEMBL7256814 0.84 CCKBR (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861228-B1 LIPOPOLYAMINES AS TRANSFECTION AGENTS AND PHARMACEUTICAL USES THEREOF AVENTIS PHARMA SA (FR) 2000-08-23 EP disclosed
EP-0861228-A1 LIPOPOLYAMINES AS TRANSFECTION AGENTS AND PHARMACEUTICAL USES THEREOF Aventis Pharma S.A. (FR) 1998-09-02 EP disclosed
WO-1997018185-A1 LIPOPOLYAMINES AS TRANSFECTION AGENTS AND PHARMACEUTICAL USES THEREOF RHONE-POULENC RORER S.A. (FR) 1997-05-22 WO disclosed