SCHEMBL6937851

SCHEMBL6937851

C=CCc1c(OCCCSc2ccc(CC(=O)OC)cc2Cl)ccc(C(=O)CC)c1O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.68
PPARG P37231 10/20 0.68
PPARD Q03181 9/20 0.68
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
PDE11A Q9HCR9 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 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
SCHEMBL6938338 0.92 PPARA (0.81) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6938600 0.90 PPARG (0.70) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6938595 0.90 PPARG (0.70) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6937386 0.90 PPARG (0.84) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6935474 0.87 PPARG (0.66) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6934160 0.84 PPARG (0.74) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6935505 0.83 PPARG (0.73) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6933762 0.82 PPARG (0.69) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6933774 0.82 PPARD (0.82) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6933777 0.82 PPARD (0.82) PPARAPPARGPPARDNR1H2NR1H3

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

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