SCHEMBL4997003

SCHEMBL4997003

CC(C)(C)OC(=O)N[C@H](COCc1ccc(F)c(F)c1F)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.58
PPARG P37231 7/20 0.56
CTSS P25774 5/20 0.47
PTPN1 P18031 1/20 0.46
CTSK P43235 3/20 0.44
ACE P12821 1/20 0.42
PPARD Q03181 2/20 0.41
MMP12 P39900 1/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
IDO1 P14902 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 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
SCHEMBL4997014 1.00 PPARA (0.58) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5001099 0.90 PPARA (0.60) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5001100 0.90 PPARA (0.60) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007444 0.87 PPARA (0.60) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007442 0.87 PPARA (0.60) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL7094300 0.85 CTSS (0.53) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5041377 0.85 CTSS (0.53) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007491 0.85 PPARA (0.55) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007488 0.85 PPARA (0.55) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007480 0.85 PPARA (0.57) 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