SCHEMBL8089326

SCHEMBL8089326

CCCCCC(C#N)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.56
CTSS P25774 7/20 0.56
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL8089323 1.00 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL8185522 0.95 CTSK (0.60) CTSKCTSS
SCHEMBL6654092 0.89 CTSK (0.58) CTSKCTSSCTSLCTSB
SCHEMBL8183200 0.87 CTSK (0.45) CTSKCTSSCTSLCTSB
SCHEMBL2508772 0.86 CTSS (0.50) CTSKCTSSCTSLCTSB
SCHEMBL30788788 0.86 CTSK (0.51) CTSKCTSS
SCHEMBL15186434 0.82 CTSK (0.49) CTSKCTSS
SCHEMBL5958657 0.82 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL15259348 0.82 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL30788772 0.82 CTSK (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555537-B1 Endothelin antagonists BANYU PHARMA CO LTD (JP) 2000-11-02 EP disclosed
US-5614498-A OLIGOPEPTIDES, BRONCHDILATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP disclosed