SCHEMBL6933751

SCHEMBL6933751

CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(OCC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.64
PPARD Q03181 5/20 0.62
PPARA Q07869 11/20 0.61

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
SCHEMBL6938393 0.95 PPARD (0.66) PPARGPPARDPPARA
SCHEMBL22281385 0.90 PPARG (0.67) PPARGPPARDPPARA
SCHEMBL6936579 0.89 PPARG (0.63) PPARGPPARDPPARA
SCHEMBL6936737 0.88 FFAR1 (0.54) PPARGPPARDPPARA
SCHEMBL6940167 0.84 PPARG (0.66) PPARGPPARDPPARA
SCHEMBL6936861 0.84 PPARA (0.59) PPARGPPARDPPARA
SCHEMBL5209547 0.84 PPARG (0.60) PPARGPPARDPPARA
SCHEMBL6932822 0.82 PPARD (0.56) PPARGPPARDPPARA
SCHEMBL6933038 0.82 PPARD (0.61) PPARGPPARDPPARA
SCHEMBL5206352 0.82 PPARG (0.57) PPARGPPARDPPARA

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