SCHEMBL6940262

SCHEMBL6940262

CCCCC1(NCCCCOc2ccc(Oc3ccccc3)cc2CCC)C=CC=C(CC(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.46
PPARA Q07869 11/20 0.46
PPARD Q03181 4/20 0.45

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
SCHEMBL6938366 0.80 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL6937017 0.79 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL5208194 0.72 PPARD (0.55) PPARGPPARAPPARD
SCHEMBL6932822 0.72 PPARD (0.56) PPARGPPARAPPARD
SCHEMBL6933038 0.72 PPARD (0.61) PPARGPPARAPPARD
SCHEMBL6936579 0.71 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL6936573 0.71 PPARG (0.52) PPARGPPARAPPARD
SCHEMBL6935270 0.71 PPARD (0.51) PPARGPPARAPPARD
SCHEMBL6933046 0.70 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL5205576 0.70 PPARG (0.53) PPARGPPARAPPARD

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