SCHEMBL5989778

SCHEMBL5989778

CCc1ccc(OCCC(C)OS(C)(=O)=O)c(C(=O)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 15/20 0.60
▸ PPARD Q03181 15/20 0.60
▸ PPARA Q07869 13/20 0.60
▸ TP53 P04637 1/20 0.41
▸ SLC6A9 P48067 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ ABCB1 P08183 1/20 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
SCHEMBL5989773 1.00 PPARG (0.60) PPARGPPARDPPARATP53SLC6A9
SCHEMBL5989662 0.95 PPARG (0.57) PPARGPPARDPPARATP53SLC6A9
SCHEMBL5989470 0.88 PPARG (0.55) PPARGPPARDPPARATP53SLC6A9
SCHEMBL5990037 0.84 PPARG (0.59) PPARGPPARDPPARASLC6A9PTGDR2
SCHEMBL5990031 0.84 PPARG (0.59) PPARGPPARDPPARASLC6A9PTGDR2
SCHEMBL5989827 0.83 PPARG (0.63) PPARGPPARDPPARATP53
SCHEMBL5992887 0.83 PPARG (0.63) PPARGPPARDPPARATP53
SCHEMBL5989831 0.83 PPARG (0.63) PPARGPPARDPPARATP53
SCHEMBL6054804 0.82 PPARG (0.60) PPARGPPARDPPARATP53SLC6A9
SCHEMBL6054774 0.81 PPARG (0.59) PPARGPPARDPPARATP53SLC6A9

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
Send feedback