SCHEMBL6937867

SCHEMBL6937867

CCCc1c(OCCCSc2ccc(CC(=O)OC)cc2Cl)cccc1C(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.54
PPARA Q07869 11/20 0.54
PPARD Q03181 10/20 0.54
NR1H2 P55055 3/20 0.48
NR1H3 Q13133 3/20 0.48
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
LTB4R Q15722 1/20 0.33

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
SCHEMBL6933376 0.84 PPARG (0.57) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6937863 0.81 PPARD (0.55) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6936613 0.78 PPARG (0.70) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6933762 0.78 PPARG (0.69) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7042280 0.77 PPARG (0.65) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6559855 0.77 PPARD (0.87) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6937386 0.77 PPARG (0.84) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6934160 0.76 PPARG (0.74) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL5203913 0.76 PPARG (0.52) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6935493 0.76 PPARG (0.85) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed