SCHEMBL5989919

SCHEMBL5989919

COC(=O)Cc1cccc(SCC[C@@H](C)OS(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.42
PPARG P37231 5/20 0.40
PPARA Q07869 5/20 0.40
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
KMT2A Q03164 1/20 0.34
HSP90AB1 P08238 1/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PDK2 Q15119 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5989924 1.00 SLC7A5 (0.42) SLC7A5PPARGPPARAALDH1A1GAA
SCHEMBL5990405 0.83 SLC7A5 (0.47) SLC7A5PPARGPPARAALDH1A1GAA
SCHEMBL5990409 0.83 SLC7A5 (0.47) SLC7A5PPARGPPARAALDH1A1GAA
SCHEMBL5989911 0.75 L3MBTL1 (0.39) SLC7A5ALDH1A1GAAGFERKMT2A
SCHEMBL5991243 0.75 L3MBTL1 (0.39) SLC7A5ALDH1A1GAAGFERKMT2A
SCHEMBL5990712 0.75 AR (0.34) PPARGPPARAALDH1A1TSHRMAPT
SCHEMBL5989151 0.75 AR (0.34) PPARGPPARAALDH1A1TSHRMAPT
SCHEMBL5989157 0.75 AR (0.34) PPARGPPARAALDH1A1TSHRMAPT
SCHEMBL8060935 0.75 SLC7A5 (0.50) SLC7A5PPARGPPARAALDH1A1GAA
SCHEMBL6586355 0.73 SLC7A5 (0.54) SLC7A5PPARGPPARAALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed