SCHEMBL7383776

SCHEMBL7383776

CC(C)(C)OC(=O)NN1CC[C@@H](C(=O)OCc2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.49
FKBP1A P62942 6/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SYK P43405 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PREP P48147 1/20 0.41
STS P08842 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL7381037 1.00 CTSL (0.49) CTSLFKBP1AKMT2AMEN1SYK
SCHEMBL4676316 0.84 CTSK (0.53) CTSLKMT2ASYKL3MBTL1PREP
SCHEMBL4676319 0.84 CTSK (0.53) CTSLKMT2ASYKL3MBTL1PREP
SCHEMBL4678408 0.84 CTSK (0.53) CTSLKMT2ASYKL3MBTL1PREP
SCHEMBL25292925 0.81 MEN1 (0.47) CTSLFKBP1AKMT2AMEN1STS
SCHEMBL606732 0.79 CTSL (0.52) CTSLFKBP1AKMT2AMEN1SYK
SCHEMBL19586208 0.77 FKBP1A (0.47) CTSLFKBP1AKMT2AMEN1STS
SCHEMBL27692260 0.76 NPC1 (0.46) CTSLFKBP1AKMT2AMEN1L3MBTL1
SCHEMBL30986395 0.76 MEN1 (0.54) FKBP1AKMT2AMEN1HPGD
SCHEMBL27935766 0.76 KMT2A (0.46) CTSLKMT2AMEN1L3MBTL1STS

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-0975612-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-06-13 EP claimed
EP-0975612-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-02 EP claimed
WO-1998046582-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-22 WO claimed
EP-0975612-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-06-13 EP disclosed
EP-0975612-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-02 EP disclosed
WO-1998046582-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-22 WO disclosed