SCHEMBL7375434

SCHEMBL7375434

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C(=O)OCc1ccccc1)[C@H]([C]=O)CC(C)C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.64
CTSS P25774 6/20 0.64
CTSL P07711 6/20 0.64
CTSB P07858 3/20 0.64
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 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
SCHEMBL27570775 0.87 CTSK (0.66) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL27494131 0.84 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL724023 0.82 CTSK (0.44) CTSKCTSSCTSLCTSB
SCHEMBL7606122 0.81 CTSB (0.43) CTSKCTSSCTSLCTSB
SCHEMBL14611591 0.79 CTSK (0.74) CTSKCTSSCTSLCTSB
SCHEMBL5934705 0.79 CTSK (0.58) CTSKCTSSCTSLCTSB
SCHEMBL7639995 0.79 CTSK (0.43) CTSKCTSSCTSLCTSB
SCHEMBL7181854 0.78 CTSK (0.70) CTSKCTSSCTSLCTSB
SCHEMBL6183072 0.78 CTSK (0.80) CTSKCTSSCTSLCTSB
SCHEMBL608854 0.78 CTSK (0.72) CTSKCTSSCTSLCTSBPSMB1

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-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
EP-0934291-A4 SMITHKLINE BEECHAM CORP (US) 1999-08-11 EP disclosed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 WO disclosed