SCHEMBL5007432

SCHEMBL5007432

CC(C)(C)OC(=O)N[C@H](CCCc1ccc(F)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.57
CTSS P25774 2/20 0.57
PPARA Q07869 9/20 0.50
PPARG P37231 8/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
PPARD Q03181 2/20 0.48
TGM2 P21980 1/20 0.47
ACE P12821 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL5007433 1.00 CTSK (0.57) CTSKCTSSPPARAPPARGITGB3
SCHEMBL13744415 0.92 CTSK (0.59) CTSKCTSSPPARAPPARGITGB3
SCHEMBL7857819 0.92 CTSK (0.59) CTSKCTSSPPARAPPARGITGB3
SCHEMBL20899671 0.92 CTSK (0.59) CTSKCTSSPPARAPPARGITGB3
SCHEMBL31407745 0.89 CTSK (0.56) CTSKCTSSPPARAPPARGITGB3
SCHEMBL29055935 0.89 CTSK (0.56) CTSKCTSSPPARAPPARGITGB3
SCHEMBL1374859 0.88 CTSK (0.63) CTSKCTSSPPARAPPARGPPARD
SCHEMBL346311 0.88 CTSK (0.63) CTSKCTSSPPARAPPARGPPARD
SCHEMBL2781406 0.88 CTSK (0.63) CTSKCTSSPPARAPPARGPPARD
SCHEMBL4991895 0.88 CTSK (0.47) CTSKCTSSPPARAPPARGITGB3

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