SCHEMBL5007477

SCHEMBL5007477

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.54
PPARG P37231 7/20 0.53
PTPN1 P18031 2/20 0.47
CTSS P25774 4/20 0.44
CTSK P43235 3/20 0.44
IDO1 P14902 2/20 0.41
ACE P12821 1/20 0.41
PPARD Q03181 2/20 0.39
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
MCL1 Q07820 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN6 P29350 1/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
PTPN11 Q06124 1/20 0.37

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
SCHEMBL5007479 1.00 PPARA (0.54) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5007445 0.88 PPARA (0.57) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5007446 0.88 PPARA (0.57) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5004849 0.84 PPARA (0.58) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5004848 0.84 PPARA (0.58) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5007500 0.83 PPARA (0.73) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5004857 0.83 PPARA (0.66) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5004856 0.83 PPARA (0.66) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5007503 0.83 PPARA (0.73) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL4997003 0.82 PPARA (0.58) 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