SCHEMBL7407663

SCHEMBL7407663

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.67
CTSL P07711 9/20 0.61
CTSS P25774 7/20 0.61
CTSB P07858 2/20 0.61

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
SCHEMBL7406523 0.94 CTSK (0.64) CTSKCTSLCTSSCTSB
SCHEMBL7520155 0.91 UTS2R (0.61) CTSKCTSLCTSSCTSB
SCHEMBL7403794 0.87 UTS2R (0.55) CTSK
SCHEMBL14362856 0.85 CTSK (0.67) CTSKCTSLCTSSCTSB
SCHEMBL4316252 0.83 CTSK (0.70) CTSKCTSLCTSSCTSB
SCHEMBL5528745 0.82 CTSK (0.65) CTSKCTSLCTSSCTSB
SCHEMBL7415020 0.82 UTS2R (0.62)
SCHEMBL7400619 0.82 UTS2R (0.62)
SCHEMBL7402928 0.82 UTS2R (0.62)
SCHEMBL5122686 0.81 TGM2 (0.67) CTSKCTSLCTSB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369077-B1 OSTEOPOROSIS, PERIODONTITIS, AND ARTHRITIS SMITHKLINE BEECHAM CORPORATION 2002-04-09 US claimed
EP-0991753-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-07-11 EP claimed
EP-0991753-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-04-12 EP claimed
WO-1998050534-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO claimed
US-6369077-B1 OSTEOPOROSIS, PERIODONTITIS, AND ARTHRITIS SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed
EP-0991753-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-07-11 EP disclosed
EP-0991753-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-04-12 EP disclosed
WO-1998050534-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO disclosed