SCHEMBL6559310

SCHEMBL6559310

CCCc1c(OCCCSc2ccc(C(C)C(=O)O)cc2Cl)ccc2cc(CC)c(=O)oc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.53
PPARA Q07869 12/20 0.53
PPARD Q03181 9/20 0.53
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
PDE5A O76074 2/20 0.36
S1PR1 P21453 1/20 0.35
LTB4R Q15722 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL6559207 0.86 PPARG (0.58) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6559789 0.85 PPARD (0.71) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6559721 0.82 PPARD (0.60) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7039142 0.81 PPARA (0.75) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6938586 0.80 PPARG (0.62) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7046234 0.80 PPARD (0.62) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7044850 0.80 PPARA (0.69) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7046443 0.79 PPARD (0.60) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6559245 0.79 PPARA (0.75) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6937885 0.78 PPARG (0.73) PPARGPPARAPPARDNR1H2NR1H3

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-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP claimed