SCHEMBL4765372

SCHEMBL4765372

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.37
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6211933 1.00 GLA (0.37) GLAGAARAB9ASMN1; SMN2
SCHEMBL6212033 0.85 EPHX1 (0.39) GLAGAA
SCHEMBL3956518 0.82 CYP2C9 (0.33) GLAGAARAB9ASMN1; SMN2
SCHEMBL4769159 0.80 GLA (0.33) GLA
SCHEMBL4765363 0.71 CTSK (0.39) GAASMN1; SMN2
SCHEMBL6211927 0.71 CTSK (0.39) GAASMN1; SMN2
SCHEMBL6842324 0.71 CTSK (0.39) GAASMN1; SMN2
SCHEMBL4768362 0.70 MEN1 (0.32) SMN1; SMN2
SCHEMBL6590820 0.68 EPHX1 (0.40) GLAGAA
SCHEMBL6273912 0.67 ARG1 (0.45) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP claimed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP claimed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO claimed
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2003045909-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF AZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2003-06-05 WO disclosed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO disclosed