SCHEMBL5690273

SCHEMBL5690273

CC(SCCc1ccc(OC(C)(C)C)cc1)C(=O)Oc1ccc(CCOc2ccc(OS(C)(=O)=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.49
PPARG P37231 11/20 0.49
PPARD Q03181 7/20 0.42

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
SCHEMBL6093067 0.83 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL5691768 0.82 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL5689189 0.76 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL3057848 0.75 PPARA (0.65) PPARAPPARGPPARD
SCHEMBL4780236 0.75 PPARA (0.65) PPARAPPARGPPARD
SCHEMBL14584453 0.74 PPARG (0.69) PPARAPPARGPPARD
SCHEMBL14584452 0.73 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL14064975 0.72 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL5416964 0.72 PPARA (0.61) PPARAPPARG
SCHEMBL14526665 0.72 PPARA (0.43) PPARAPPARG

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
JP-2006527747-A 2006-12-07 JP claimed
EP-1638927-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2006-03-29 EP claimed
WO-2004113282-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-12-29 WO claimed