SCHEMBL6630008

SCHEMBL6630008

CC(C)CC(NC(=O)c1cc2ccccc2o1)C(=O)NC1CCCN(C(=O)c2ccccc2)C[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.55
CTSL P07711 12/20 0.52
CTSS P25774 8/20 0.52
CTSB P07858 3/20 0.52
CTSV O60911 2/20 0.52
UTS2R Q9UKP6 2/20 0.51
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50

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
SCHEMBL6630006 1.00 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6630009 1.00 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092508 0.88 CTSK (0.60) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092490 0.88 CTSK (0.60) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4317853 0.88 TAS1R3 (0.62) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5949040 0.88 TAS1R3 (0.62) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4317862 0.88 TAS1R3 (0.62) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4323042 0.88 TAS1R3 (0.62) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4317857 0.88 TAS1R3 (0.62) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6764484 0.84 CTSK (0.67) 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