SCHEMBL7454547

SCHEMBL7454547

CC(C)C[C@H](NC(=O)c1occ2ccccc12)C(=O)N1CCCCC(N)C(=O)C1S(=O)(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.43
CTSL P07711 17/20 0.43
CTSS P25774 14/20 0.43
CTSB P07858 5/20 0.42
CTSV O60911 2/20 0.42
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7446738 0.88 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7451425 0.87 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7449697 0.87 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7454549 0.85 CTSK (0.58) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7445945 0.84 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7451430 0.84 TAS1R3 (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7453952 0.80 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7446348 0.76 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7446748 0.75 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7448783 0.74 CTSK (0.47) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002533452-A 2002-10-08 JP claimed
EP-1140897-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-04-03 EP claimed
EP-1140897-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-10-10 EP claimed
WO-2000039115-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed
EP-1140897-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-04-03 EP disclosed
EP-1140897-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-10-10 EP disclosed
WO-2000039115-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed