SCHEMBL7042295

SCHEMBL7042295

CCCc1c(OCCCOc2ccc(CC(=O)O)cc2)ccc2c(-c3ccccc3)noc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 1.00
PPARG P37231 19/20 1.00
PPARD Q03181 19/20 1.00
NR1H2 P55055 1/20 0.74
NR1H3 Q13133 1/20 0.74

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
SCHEMBL5209013 0.92 PPARA (0.85) PPARAPPARGPPARD
SCHEMBL7038946 0.92 PPARG (1.00) PPARAPPARGPPARD
SCHEMBL7038856 0.91 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL7046734 0.90 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL7044964 0.89 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL2896562 0.88 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL7041507 0.88 PPARG (0.78) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7042418 0.86 PPARA (0.79) PPARAPPARGPPARD
SCHEMBL7043400 0.85 PPARA (0.81) PPARAPPARGPPARD
SCHEMBL7042294 0.85 PPARA (1.00) PPARAPPARGPPARD

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-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP claimed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US claimed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP claimed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP disclosed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed