SCHEMBL5689189

SCHEMBL5689189

CC(C)(C)Oc1ccc(CCSc2cccc(CCOc3ccc(OS(C)(=O)=O)cc3)c2OC(=O)C(Cc2ccc(CCOc3ccc(OS(C)(=O)=O)cc3)cc2)SCCc2ccc(OC(C)(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.49
PPARG P37231 12/20 0.49
PPARD Q03181 4/20 0.33
FFAR1 O14842 1/20 0.32

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 0.81 PPARA (0.68) PPARAPPARGPPARDFFAR1
SCHEMBL5690273 0.76 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL4899535 0.76 PPARA (0.41) PPARAPPARGPPARDFFAR1
SCHEMBL14064975 0.74 PPARA (0.62) PPARAPPARGPPARDFFAR1
SCHEMBL3104768 0.73 PPARA (0.61) PPARAPPARGPPARDFFAR1
SCHEMBL3115791 0.73 PPARA (0.61) PPARAPPARGPPARDFFAR1
SCHEMBL6092840 0.73 PPARA (0.61) PPARAPPARGPPARDFFAR1
SCHEMBL3947028 0.73 PPARA (0.72) PPARAPPARGPPARDFFAR1
SCHEMBL3938267 0.73 PPARA (0.61) PPARAPPARGFFAR1

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-1638927-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2006-03-29 EP disclosed
WO-2004113282-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-12-29 WO disclosed