SCHEMBL6632809

SCHEMBL6632809

CC(C)CC(NC(=O)c1cc2ccccc2o1)C(=O)NC1CCCN(Cc2cccs2)CC1=O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.64
CTSL P07711 15/20 0.64
CTSS P25774 11/20 0.64
CTSB P07858 5/20 0.64
CTSV O60911 2/20 0.64
UTS2R Q9UKP6 2/20 0.49

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
SCHEMBL6632805 1.00 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6632808 1.00 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6589794 0.85 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099265 0.85 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4791826 0.85 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6405567 0.83 CTSK (0.80) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4792549 0.83 CTSK (0.80) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6764484 0.82 CTSK (0.67) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6588924 0.81 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4309304 0.81 CTSK (0.66) 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