SCHEMBL6628192

SCHEMBL6628192

CCCS(=O)(=O)N1CCC[C@H](NC(=O)C(CC(C)C)NC(=O)c2cc3cc(OC)ccc3o2)C(=O)C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.61
CTSL P07711 13/20 0.61
CTSS P25774 12/20 0.61
CTSB P07858 6/20 0.61
CTSV O60911 2/20 0.61
TAS1R3 Q7RTX0 3/20 0.53
TAS1R1 Q7RTX1 3/20 0.53

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
SCHEMBL6628197 1.00 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6628202 1.00 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096581 0.88 CTSK (0.65) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096586 0.88 CTSK (0.65) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5098809 0.87 CTSK (0.62) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5098811 0.87 CTSK (0.62) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099749 0.86 CTSK (0.65) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099744 0.86 CTSK (0.65) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4767136 0.86 CTSK (0.63) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4767147 0.86 CTSK (0.63) 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 claimed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP claimed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO claimed