SCHEMBL6936596

SCHEMBL6936596

CCCc1ccc(Oc2ccccc2)cc1OCCCSc1ccc(CC(=O)O)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.59
PPARA Q07869 12/20 0.59
PPARD Q03181 10/20 0.59
NR1H2 P55055 1/20 0.52
NR1H3 Q13133 1/20 0.52
LTB4R Q15722 2/20 0.43
LTB4R2 Q9NPC1 2/20 0.43
SRD5A2 P31213 1/20 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
SCHEMBL6931450 0.93 PPARG (0.61) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL5203913 0.85 PPARG (0.52) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6938569 0.84 PPARD (0.51) PPARGPPARAPPARD
SCHEMBL6937833 0.84 PTGS1 (0.43) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6933839 0.83 PPARG (0.49) PPARGPPARAPPARDSRD5A2
SCHEMBL6934158 0.82 PPARD (0.66) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7074267 0.80 PPARA (0.61) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6939961 0.79 PPARG (0.49) PPARGPPARAPPARD
SCHEMBL6931405 0.78 PPARD (0.69) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6934429 0.78 PPARA (0.58) 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 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