SCHEMBL4991895

SCHEMBL4991895

CC(C)(C)OC(=O)N[C@H](CCCc1cc(F)cc(F)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.47
CTSS P25774 4/20 0.47
ACE P12821 1/20 0.46
PPARA Q07869 8/20 0.45
PPARG P37231 7/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
PPARD Q03181 2/20 0.43
PTPN1 P18031 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
SCHEMBL4991901 1.00 CTSK (0.47) CTSKCTSSACEPPARAPPARG
SCHEMBL5007432 0.88 CTSK (0.57) CTSKCTSSACEPPARAPPARG
SCHEMBL5007433 0.88 CTSK (0.57) CTSKCTSSACEPPARAPPARG
SCHEMBL1202421 0.84 ACE (0.59) CTSKCTSSACEPPARAPPARG
SCHEMBL14250214 0.84 ACE (0.59) CTSKCTSSACEPPARAPPARG
SCHEMBL1448035 0.84 ACE (0.59) CTSKCTSSACEPPARAPPARG
SCHEMBL1374859 0.83 CTSK (0.63) CTSKCTSSACEPPARAPPARG
SCHEMBL346311 0.83 CTSK (0.63) CTSKCTSSACEPPARAPPARG
SCHEMBL2781406 0.83 CTSK (0.63) CTSKCTSSACEPPARAPPARG
SCHEMBL29055935 0.81 CTSK (0.56) CTSKCTSSACEPPARAPPARG

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