SCHEMBL6933839

SCHEMBL6933839

CCCc1cc(Oc2ccccc2)ccc1OCCCSc1ccc(CC(=O)O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.49
PPARA Q07869 13/20 0.49
PPARD Q03181 9/20 0.49
SRD5A2 P31213 1/20 0.46

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
SCHEMBL6938569 0.93 PPARD (0.51) PPARGPPARAPPARD
SCHEMBL6931450 0.90 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL6936596 0.83 PPARG (0.59) PPARGPPARAPPARDSRD5A2
SCHEMBL6932822 0.83 PPARD (0.56) PPARGPPARAPPARD
SCHEMBL5203913 0.82 PPARG (0.52) PPARGPPARAPPARD
SCHEMBL6936579 0.82 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL6933542 0.82 PPARD (0.50) PPARGPPARAPPARD
SCHEMBL5208194 0.81 PPARD (0.55) PPARGPPARAPPARD
SCHEMBL6936537 0.81 FFAR1 (0.51) PPARGPPARAPPARD
SCHEMBL6933046 0.81 PPARG (0.56) PPARGPPARAPPARDSRD5A2

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