SCHEMBL6987278

SCHEMBL6987278

CCCCOC(=O)N[C@@H](CC1CC1)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
EPHX1 P07099 1/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
CTSS P25774 1/20 0.39
ACE P12821 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
ACHE P22303 6/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL28951260 0.89 CTSK (0.46) EPHX1CTSKCTSLCTSBCTSS
SCHEMBL25523517 0.89 CTSK (0.46) EPHX1CTSKCTSLCTSBCTSS
SCHEMBL2456560 0.88 ITGB3 (0.42) EPHX1CTSKCTSLCTSBITGB3
SCHEMBL6984792 0.88 ITGB3 (0.42) EPHX1CTSKCTSLCTSBITGB3
SCHEMBL25524876 0.88 CTSK (0.46) EPHX1CTSKCTSLCTSBCTSS
SCHEMBL30174766 0.88 CTSK (0.46) EPHX1CTSKCTSLCTSBCTSS
SCHEMBL28951370 0.88 CTSK (0.46) EPHX1CTSKCTSLCTSBCTSS
SCHEMBL28951216 0.88 CTSK (0.46) EPHX1CTSKCTSLCTSBCTSS
SCHEMBL28951395 0.84 CTSK (0.43) EPHX1CTSKCTSLCTSBCTSS
SCHEMBL25524070 0.84 CTSK (0.43) EPHX1CTSKCTSLCTSBCTSS

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-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed