SCHEMBL6054774

SCHEMBL6054774

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.59
▸ PPARD Q03181 9/20 0.59
▸ PPARA Q07869 7/20 0.59
▸ PTPN11 Q06124 4/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SLC6A9 P48067 1/20 0.43
▸ S1PR3 Q99500 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ PTPN1 P18031 1/20 0.40
▸ PTPN6 P29350 1/20 0.40

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
SCHEMBL6054804 0.99 PPARG (0.60) PPARGPPARDPPARAPTPN11TP53
SCHEMBL6054811 0.86 PPARG (0.63) PPARGPPARDPPARAPTPN11SLC6A9
SCHEMBL5989662 0.83 PPARG (0.57) PPARGPPARDPPARATP53SLC6A9
SCHEMBL5990505 0.82 PPARG (0.49) PPARGPPARDPPARATP53PTGDR2
SCHEMBL5989773 0.81 PPARG (0.60) PPARGPPARDPPARATP53SLC6A9
SCHEMBL5992887 0.81 PPARG (0.63) PPARGPPARDPPARATP53
SCHEMBL5989827 0.81 PPARG (0.63) PPARGPPARDPPARATP53
SCHEMBL5989778 0.81 PPARG (0.60) PPARGPPARDPPARATP53SLC6A9
SCHEMBL5989831 0.81 PPARG (0.63) PPARGPPARDPPARATP53
SCHEMBL5989470 0.81 PPARG (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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