SCHEMBL5001111

SCHEMBL5001111

CC(C)(C)OC(=O)NC(COCc1cccc(C(F)(F)F)c1F)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.58
PPARG P37231 5/20 0.56
CTSS P25774 5/20 0.47
PTPN1 P18031 1/20 0.46
CTSK P43235 4/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
SCN9A Q15858 3/20 0.43
ACE P12821 1/20 0.42
PPARD Q03181 2/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
CYP3A4 P08684 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
IDO1 P14902 1/20 0.40
TGM2 P21980 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
SCHEMBL5001109 1.00 PPARA (0.58) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5001374 0.91 PPARA (0.64) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5001376 0.91 PPARA (0.64) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5001066 0.89 PPARA (0.56) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5001063 0.89 PPARA (0.56) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5001099 0.89 PPARA (0.60) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5001100 0.89 PPARA (0.60) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL4997377 0.87 PPARA (0.58) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL4997357 0.87 PPARA (0.58) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007450 0.86 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 3 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