SCHEMBL4996844

SCHEMBL4996844

CC(C)(C)OC(=O)N[C@H](COCc1ccccc1C(N)=O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.64
▸ PPARG P37231 4/20 0.61
▸ CTSS P25774 6/20 0.52
▸ KLK7 P49862 2/20 0.46
▸ KLK5 Q9Y337 2/20 0.46
▸ ACE P12821 1/20 0.46
▸ PPARD Q03181 2/20 0.45
▸ PTPN1 P18031 5/20 0.45
▸ CTSK P43235 4/20 0.44
▸ CDC25B P30305 4/20 0.44
▸ PTPN2 P17706 3/20 0.44
▸ CDC25A P30304 2/20 0.44
▸ PTPN6 P29350 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ IDO1 P14902 1/20 0.43

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
SCHEMBL4996856 1.00 PPARA (0.64) PPARAPPARGCTSSKLK7KLK5
SCHEMBL31407438 0.86 ACE (0.55) PPARAPPARGCTSSACEPPARD
SCHEMBL31407522 0.86 ACE (0.55) PPARAPPARGCTSSACEPPARD
SCHEMBL5001271 0.85 PPARA (0.67) PPARAPPARGCTSSKLK7KLK5
SCHEMBL5001274 0.85 PPARA (0.67) PPARAPPARGCTSSKLK7KLK5
SCHEMBL5004856 0.84 PPARA (0.66) PPARAPPARGCTSSKLK7KLK5
SCHEMBL5004857 0.84 PPARA (0.66) PPARAPPARGCTSSKLK7KLK5
SCHEMBL5007456 0.84 PPARA (0.66) PPARAPPARGCTSSKLK7KLK5
SCHEMBL5007454 0.84 PPARA (0.66) PPARAPPARGCTSSKLK7KLK5
SCHEMBL7308326 0.84 PPARA (0.66) PPARAPPARGCTSSKLK7KLK5

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
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