SCHEMBL5997111

SCHEMBL5997111

CCc1ccc(OC(C)COS(C)(=O)=O)c(C(=O)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 11/20 0.55
▸ PPARD Q03181 11/20 0.55
▸ PPARA Q07869 9/20 0.55
▸ TP53 P04637 1/20 0.40
▸ ABCB1 P08183 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ METAP2 P50579 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL5989831 0.89 PPARG (0.63) PPARGPPARDPPARATP53
SCHEMBL5992887 0.89 PPARG (0.63) PPARGPPARDPPARATP53
SCHEMBL5989827 0.89 PPARG (0.63) PPARGPPARDPPARATP53
SCHEMBL5990505 0.86 PPARG (0.49) PPARGPPARDPPARATP53ABCB1
SCHEMBL5989901 0.81 PPARG (0.64) PPARGPPARDPPARADHODH
SCHEMBL5989905 0.81 PPARG (0.64) PPARGPPARDPPARADHODH
SCHEMBL5992133 0.81 PPARG (0.60) PPARGPPARDPPARATP53ABCB1
SCHEMBL6054804 0.80 PPARG (0.60) PPARGPPARDPPARATP53ABCB1
SCHEMBL6054774 0.79 PPARG (0.59) PPARGPPARDPPARATP53
SCHEMBL5989778 0.78 PPARG (0.60) PPARGPPARDPPARATP53ABCB1

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
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