SCHEMBL5007488

SCHEMBL5007488

CC(C)(C)OC(=O)N[C@H](COCc1ccc(Cl)cc1F)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.55
PPARG P37231 5/20 0.53
PTPN1 P18031 1/20 0.48
CTSS P25774 3/20 0.45
CTSL P07711 1/20 0.43
CTSK P43235 2/20 0.42
ACE P12821 1/20 0.42
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
S1PR3 Q99500 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARD Q03181 2/20 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
SCHEMBL5007491 1.00 PPARA (0.55) PPARAPPARGPTPN1CTSSCTSL
SCHEMBL4767235 0.89 PPARA (0.57) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL5007480 0.89 PPARA (0.57) PPARAPPARGPTPN1CTSSCTSK
SCHEMBL4992116 0.89 PPARA (0.57) PPARAPPARGCTSSCTSLACE
SCHEMBL4992123 0.89 PPARA (0.57) PPARAPPARGCTSSCTSLACE
SCHEMBL5001086 0.87 PPARA (0.57) PPARAPPARGPTPN1CTSSCTSL
SCHEMBL5001088 0.87 PPARA (0.57) PPARAPPARGPTPN1CTSSCTSL
SCHEMBL12737973 0.86 CTSS (0.53) PPARAPPARGPTPN1CTSSCTSL
SCHEMBL5321402 0.86 CTSS (0.53) PPARAPPARGPTPN1CTSSCTSL
SCHEMBL4997003 0.85 PPARA (0.58) PPARAPPARGPTPN1CTSSCTSK

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