SCHEMBL5990037

SCHEMBL5990037

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.59
▸ PPARD Q03181 10/20 0.59
▸ PPARA Q07869 8/20 0.59
▸ ABCB1 P08183 3/20 0.45
▸ SLC6A9 P48067 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ HTT P42858 1/20 0.41

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
SCHEMBL5990031 1.00 PPARG (0.59) PPARGPPARDPPARAABCB1SLC6A9
SCHEMBL5990674 0.94 PPARG (0.61) PPARGPPARDPPARAABCB1SLC6A9
SCHEMBL5991081 0.89 PPARG (0.58) PPARGPPARDPPARAABCB1SLC6A9
SCHEMBL5989773 0.84 PPARG (0.60) PPARGPPARDPPARAABCB1SLC6A9
SCHEMBL5989778 0.84 PPARG (0.60) PPARGPPARDPPARAABCB1SLC6A9
SCHEMBL6054811 0.81 PPARG (0.63) PPARGPPARDPPARASLC6A9PTGDR2
SCHEMBL5989470 0.81 PPARG (0.55) PPARGPPARDPPARAABCB1SLC6A9
SCHEMBL5989662 0.81 PPARG (0.57) PPARGPPARDPPARAABCB1SLC6A9
SCHEMBL21483094 0.80 PPARG (0.57) PPARGPPARDPPARAABCB1SLC6A9
SCHEMBL30070784 0.80 PPARG (0.57) PPARGPPARDPPARAABCB1SLC6A9

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