SCHEMBL6588924

SCHEMBL6588924

CC(C)CCC(=O)N1CCC[C@H](NC(=O)C(CC(C)C)NC(=O)c2cc3ccccc3o2)C(=O)C1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.66
CTSL P07711 15/20 0.66
CTSS P25774 13/20 0.66
CTSB P07858 5/20 0.66
CTSV O60911 2/20 0.66

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
SCHEMBL6764484 0.88 CTSK (0.67) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4309299 0.88 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784237 0.88 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784235 0.88 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4312888 0.88 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4309304 0.88 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4315942 0.86 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4313001 0.86 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4313004 0.86 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784265 0.86 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV

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-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed