SCHEMBL4997399

SCHEMBL4997399

CC(C)(C)OC(=O)NC(COCc1cccc(F)c1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.70
PPARG P37231 5/20 0.64
CTSS P25774 4/20 0.60
CTSK P43235 3/20 0.60
ACE P12821 1/20 0.51
KLK7 P49862 2/20 0.48
KLK5 Q9Y337 2/20 0.48
PTPN1 P18031 5/20 0.47
JAK2 O60674 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NCOA2 Q15596 1/20 0.46

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
SCHEMBL4997387 1.00 PPARA (0.70) PPARAPPARGCTSSCTSKACE
SCHEMBL4991917 0.88 PPARA (0.65) PPARAPPARGCTSSCTSKACE
SCHEMBL4991908 0.88 PPARA (0.65) PPARAPPARGCTSSCTSKACE
SCHEMBL14056987 0.87 PPARA (0.71) PPARAPPARGCTSSCTSKACE
SCHEMBL14056985 0.87 PPARA (0.71) PPARAPPARGCTSSCTSKACE
SCHEMBL828674 0.87 PPARA (0.90) PPARAPPARGCTSSCTSKACE
SCHEMBL17051 0.87 PPARA (0.90) PPARAPPARGCTSSCTSKACE
SCHEMBL1132901 0.87 PPARA (0.90) PPARAPPARGCTSSCTSKACE
SCHEMBL478597 0.86 CTSS (0.74) PPARAPPARGCTSSCTSKACE
SCHEMBL1269412 0.86 CTSS (0.74) PPARAPPARGCTSSCTSKACE

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