SCHEMBL7451271

SCHEMBL7451271

C[C@@H](CC(N)=O)CC(=O)N[C@H]1CCCOCC1=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.38
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
HPGD P15428 1/20 0.31
CCR2 P41597 1/20 0.30

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
SCHEMBL7455803 0.96 CTSK (0.37) CTSKCTSLCTSSHPGDCCR2
SCHEMBL7448752 0.78 CTSK (0.33) CTSK
SCHEMBL7456061 0.78 CTSK (0.33) CTSK
SCHEMBL7523273 0.73 CTSK (0.47) CTSKCTSLCTSS
SCHEMBL7451825 0.73 PSEN1 (0.36)
SCHEMBL7451263 0.73 CTSK (0.35) CTSKCTSLCTSS
SCHEMBL6766533 0.73 CTSK (0.36) CTSKCTSLCTSS
SCHEMBL7442268 0.70 CTSK (0.46) CTSKCTSLCTSS
SCHEMBL7451209 0.68 CTSK (0.38) CTSKCTSLCTSSCCR2
SCHEMBL7565531 0.68 SIGMAR1 (0.43) CTSKCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153022-A4 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP claimed
EP-1153022-A1 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-14 EP claimed
WO-2000049011-A1 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-08-24 WO claimed
EP-1153022-A4 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
EP-1153022-A1 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-14 EP disclosed
WO-2000049011-A1 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-08-24 WO disclosed