SCHEMBL3115807

SCHEMBL3115807

CCCCC(c1ccc(CCOc2ccc(OS(C)(=O)=O)cc2)cc1)C(SCCc1ccc(O)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.49
PPARA Q07869 9/20 0.49
ALOX5 P09917 9/20 0.43
PTGES O14684 7/20 0.43
PSEN1 P49768 1/20 0.40
PPARD Q03181 2/20 0.39

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
SCHEMBL6094832 0.85 PPARA (0.53) PPARGPPARAPPARD
SCHEMBL6092845 0.85 PPARA (0.53) PPARGPPARAPPARD
SCHEMBL3100619 0.80 PPARA (0.71) PPARGPPARAPPARD
SCHEMBL3946198 0.80 PPARA (0.71) PPARGPPARAPPARD
SCHEMBL3100628 0.80 PPARA (0.71) PPARGPPARAPPARD
SCHEMBL5474463 0.80 PPARA (0.70) PPARGPPARAPPARD
SCHEMBL13156113 0.77 PPARA (0.60) PPARGPPARAPPARD
SCHEMBL5689292 0.76 PPARA (0.63) PPARGPPARAALOX5PTGESPPARD
Tert-Butylamine SCHEMBL3112027 0.76 PPARA (0.68) PPARGPPARAPPARD
Piperazine SCHEMBL5413975 0.76 PPARA (0.65) PPARGPPARAPPARD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803586-B2 Chemical Process ASTRAZENECA AB (SE) 2010-09-28 US disclosed