SCHEMBL6938580

SCHEMBL6938580

CCCc1c(OCCCSc2ccc(C(C)C(=O)O)cc2Cl)ccc(C(=O)CC)c1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.57
PPARA Q07869 9/20 0.57
PPARD Q03181 8/20 0.57
CYSLTR2 Q9NS75 10/20 0.43
CYSLTR1 Q9Y271 10/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 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
SCHEMBL6936461 0.92 PPARG (0.59) PPARGPPARAPPARDCYSLTR2CYSLTR1
SCHEMBL6937146 0.91 PPARG (0.60) PPARGPPARAPPARDCYSLTR2CYSLTR1
SCHEMBL6937885 0.88 PPARG (0.73) PPARGPPARAPPARDCYSLTR2CYSLTR1
SCHEMBL6939266 0.85 PPARD (0.79) PPARGPPARAPPARDCYSLTR2CYSLTR1
SCHEMBL6939647 0.83 PPARG (0.62) PPARGPPARAPPARDCYSLTR2CYSLTR1
SCHEMBL6936685 0.83 PPARG (0.64) PPARGPPARAPPARDCYSLTR2CYSLTR1
SCHEMBL6938586 0.82 PPARG (0.62) PPARGPPARAPPARDCYSLTR2CYSLTR1
SCHEMBL6933139 0.82 PPARG (0.66) PPARGPPARAPPARDCYSLTR2CYSLTR1
SCHEMBL6938282 0.82 PPARG (0.69) PPARGPPARAPPARDCYSLTR2CYSLTR1
SCHEMBL6938970 0.81 PPARG (0.75) PPARGPPARAPPARDCYSLTR2CYSLTR1

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
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP claimed