SCHEMBL5007445

SCHEMBL5007445

CC(C)(C)OC(=O)N[C@H](COCc1cc(F)ccc1F)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.57
PPARG P37231 7/20 0.55
PTPN1 P18031 1/20 0.49
CTSS P25774 4/20 0.47
CTSK P43235 3/20 0.46
ACE P12821 1/20 0.43
SCN9A Q15858 2/20 0.43
PPARD Q03181 2/20 0.40
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL5007446 1.00 PPARA (0.57) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL4767235 0.91 PPARA (0.57) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5007480 0.91 PPARA (0.57) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5007479 0.88 PPARA (0.54) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5007477 0.88 PPARA (0.54) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5004848 0.87 PPARA (0.58) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5004849 0.87 PPARA (0.58) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5001277 0.87 PPARA (0.55) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5001273 0.87 PPARA (0.55) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5007458 0.86 PPARA (0.55) PPARAPPARGPTPN1CTSSCTSK

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