SCHEMBL5007450

SCHEMBL5007450

CC(C)(C)OC(=O)N[C@H](COCc1c(F)cccc1C(F)(F)F)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.57
PPARG P37231 5/20 0.55
CTSS P25774 3/20 0.47
SCN9A Q15858 3/20 0.46
PTPN1 P18031 3/20 0.45
CYP3A4 P08684 1/20 0.45
CTSK P43235 2/20 0.44
ACE P12821 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PPARD Q03181 2/20 0.41
KLK7 P49862 2/20 0.40
KLK5 Q9Y337 2/20 0.40
IDO1 P14902 1/20 0.39
PTPN2 P17706 2/20 0.39
CDC25B P30305 2/20 0.39
PTPN6 P29350 1/20 0.39
CDC25A P30304 1/20 0.39
PTPN11 Q06124 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
SCHEMBL5007453 1.00 PPARA (0.57) PPARAPPARGCTSSSCN9APTPN1
SCHEMBL4994875 0.91 PPARA (0.64) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL4994867 0.91 PPARA (0.64) PPARAPPARGCTSSPTPN1CTSK
SCHEMBL5007429 0.86 PPARA (0.58) PPARAPPARGCTSSSCN9APTPN1
SCHEMBL5001111 0.86 PPARA (0.58) PPARAPPARGCTSSSCN9APTPN1
SCHEMBL5007427 0.86 PPARA (0.58) PPARAPPARGCTSSSCN9APTPN1
SCHEMBL5001109 0.86 PPARA (0.58) PPARAPPARGCTSSSCN9APTPN1
SCHEMBL5001374 0.84 PPARA (0.64) PPARAPPARGCTSSSCN9APTPN1
SCHEMBL5001376 0.84 PPARA (0.64) PPARAPPARGCTSSSCN9APTPN1
SCHEMBL5007442 0.83 PPARA (0.60) PPARAPPARGCTSSSCN9APTPN1

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