SCHEMBL7451863

SCHEMBL7451863

CCC(CC(=O)NC1C/C=C\COC[C@H]1O)NC(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
KLK7 P49862 2/20 0.31
KLK5 Q9Y337 2/20 0.31
GAA P10253 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL7451867 1.00 SYK (0.32) SYKCTSDBACE1KLK7KLK5
SCHEMBL7558417 1.00 SYK (0.32) SYKCTSDBACE1KLK7KLK5
SCHEMBL7552350 1.00 SYK (0.32) SYKCTSDBACE1KLK7KLK5
SCHEMBL7447808 0.86
SCHEMBL7526880 0.82 CTSD (0.32) CTSDBACE1KLK7KLK5GAA
SCHEMBL7526876 0.82 CTSD (0.32) CTSDBACE1KLK7KLK5GAA
SCHEMBL7513722 0.82 CTSD (0.32) CTSDBACE1KLK7KLK5GAA
SCHEMBL7513728 0.82 CTSD (0.32) CTSDBACE1KLK7KLK5GAA
SCHEMBL7513733 0.80 CTSK (0.45) CTSDBACE1KLK7KLK5CTSS
SCHEMBL15045018 0.66 NFKB1 (0.44) GAACTSK

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-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