SCHEMBL6938569

SCHEMBL6938569

CCCc1cc(Oc2ccccc2)ccc1OCCCSc1ccc(CC(=O)O)cc1CCC

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.51
PPARG P37231 19/20 0.50
PPARA Q07869 13/20 0.50

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
SCHEMBL6933839 0.93 PPARG (0.49) PPARDPPARGPPARA
SCHEMBL6931450 0.92 PPARG (0.61) PPARDPPARGPPARA
SCHEMBL6932822 0.86 PPARD (0.56) PPARDPPARGPPARA
SCHEMBL6933542 0.85 PPARD (0.50) PPARDPPARGPPARA
SCHEMBL6936596 0.84 PPARG (0.59) PPARDPPARGPPARA
SCHEMBL6933038 0.84 PPARD (0.61) PPARDPPARGPPARA
SCHEMBL5203913 0.84 PPARG (0.52) PPARDPPARGPPARA
SCHEMBL6936579 0.84 PPARG (0.63) PPARDPPARGPPARA
SCHEMBL5208194 0.83 PPARD (0.55) PPARDPPARGPPARA
SCHEMBL6936537 0.83 FFAR1 (0.51) PPARDPPARGPPARA

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