SCHEMBL5001306

SCHEMBL5001306

CC(C)(C)OC(=O)N[C@H](COCc1ccccc1C#N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.62
PPARG P37231 4/20 0.60
CTSS P25774 12/20 0.59
PTPN1 P18031 2/20 0.54
CTSK P43235 10/20 0.51
CTSB P07858 2/20 0.49
CTSL P07711 2/20 0.49
ACE P12821 1/20 0.45
PPARD Q03181 2/20 0.44

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
SCHEMBL5001310 1.00 PPARA (0.62) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL3812341 0.86 CTSS (0.60) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL29907919 0.86 CTSS (0.60) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL17912348 0.86 CTSS (0.60) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL29842925 0.86 CTSS (0.60) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL3812344 0.86 CTSS (0.60) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5001274 0.84 PPARA (0.67) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5001271 0.84 PPARA (0.67) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007456 0.83 PPARA (0.66) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5004857 0.83 PPARA (0.66) PPARAPPARGCTSSPTPN1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396846-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
EP-1497316-B1 GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2006-07-05 EP disclosed
US-20050240001-A1 2-(2-Amino-2-methylpropionylamino)-3-(2,6-difluoro-3-methylphenyl)methoxy propionic acid N-[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2,3-dihydroisothiazol-4-ylmethyl]-N-ethylamide; endogenous human growth hormone controller; non-peptidyl in nature, more metabolically stable ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1497316-A2 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2005-01-19 EP disclosed
WO-2003087070-A2 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2003-10-23 WO disclosed