SCHEMBL5007429

SCHEMBL5007429

CC(C)(C)OC(=O)NC(COCc1c(F)cccc1Cl)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.58
PPARG P37231 5/20 0.56
CTSS P25774 3/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTPN1 P18031 1/20 0.46
CTSK P43235 2/20 0.44
CYP3A4 P08684 1/20 0.44
SCN9A Q15858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ACE P12821 1/20 0.42
PPARD Q03181 2/20 0.41
CTSL P07711 1/20 0.41
KLK7 P49862 1/20 0.41

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
SCHEMBL5007427 1.00 PPARA (0.58) PPARAPPARGCTSSMITFLMNA
SCHEMBL4994875 0.92 PPARA (0.64) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL4994867 0.92 PPARA (0.64) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007463 0.92 PPARA (0.64) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007462 0.92 PPARA (0.64) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5001082 0.87 PPARA (0.57) PPARAPPARGCTSSMAPTPTPN1
SCHEMBL5001080 0.87 PPARA (0.57) PPARAPPARGCTSSMAPTPTPN1
SCHEMBL5007453 0.86 PPARA (0.57) PPARAPPARGCTSSLMNAPTPN1
SCHEMBL5007450 0.86 PPARA (0.57) PPARAPPARGCTSSLMNAPTPN1
SCHEMBL4997357 0.85 PPARA (0.58) 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