SCHEMBL6589324

SCHEMBL6589324

Cc1ccc(C(=O)NC(CC(C)C)C(=O)NC2CCCN(S(=O)(=O)C3=NC=CCC3=O)C[C@@H]2O)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.40
CTSL P07711 8/20 0.40
CTSS P25774 4/20 0.40
CTSB P07858 3/20 0.38
CTSV O60911 1/20 0.38
CAPN1 P07384 1/20 0.35
CASP1 P29466 1/20 0.35
CASP3 P42574 1/20 0.35
DDR1 Q08345 2/20 0.33
MAPK14 Q16539 2/20 0.33
DDR2 Q16832 2/20 0.33
KMT2A Q03164 1/20 0.33
CACNA1B Q00975 2/20 0.33
TAOK1 Q7L7X3 1/20 0.33
TAOK3 Q9H2K8 1/20 0.33

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
SCHEMBL6765719 0.87 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096443 0.81 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6592603 0.81 CACNA1B (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6593138 0.73 CTSL (0.31) CTSKCTSLCTSSCTSB
SCHEMBL7246379 0.71
SCHEMBL6762057 0.71 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6762056 0.71 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6211744 0.70 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4765376 0.70 CTSK (0.31) CTSKCTSLCTSSCTSB
SCHEMBL7479129 0.70 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 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