SCHEMBL5007447

SCHEMBL5007447

COc1ccccc1COC[C@@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.65
PPARG P37231 4/20 0.62
CACNA1B Q00975 1/20 0.56
TACR1 P25103 1/20 0.56
CTSS P25774 5/20 0.53
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49
ACE P12821 1/20 0.47
PPARD Q03181 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
PTPN1 P18031 3/20 0.46
CTSK P43235 4/20 0.45
KLK7 P49862 1/20 0.45
KLK5 Q9Y337 1/20 0.45
IDO1 P14902 1/20 0.44
PTPN2 P17706 2/20 0.44
CDC25B P30305 2/20 0.44
CDC25A P30304 1/20 0.44

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
SCHEMBL5007452 1.00 PPARA (0.65) PPARAPPARGCACNA1BTACR1CTSS
SCHEMBL5001325 0.88 PPARA (0.61) PPARAPPARGCACNA1BTACR1CTSS
SCHEMBL1371645 0.88 PPARA (0.61) PPARAPPARGCACNA1BTACR1CTSS
SCHEMBL1371647 0.88 PPARA (0.61) PPARAPPARGCACNA1BTACR1CTSS
SCHEMBL5001271 0.86 PPARA (0.67) PPARAPPARGCTSSACEPPARD
SCHEMBL5001274 0.86 PPARA (0.67) PPARAPPARGCTSSACEPPARD
SCHEMBL3376442 0.85 TACR1 (0.60) PPARAPPARGCACNA1BTACR1CTSS
SCHEMBL3376451 0.85 TACR1 (0.60) PPARAPPARGCACNA1BTACR1CTSS
SCHEMBL31407351 0.85 TACR1 (0.60) PPARAPPARGCACNA1BTACR1CTSS
SCHEMBL5004857 0.85 PPARA (0.66) PPARAPPARGCTSSACEPPARD

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