SCHEMBL7044794

SCHEMBL7044794

CCCc1c(OCCCNC2(Cl)C=CC=C(CC(=O)O)C2)ccc2c(-c3ccccc3)[nH]nc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.40
PPARG P37231 17/20 0.40
PPARD Q03181 17/20 0.40
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36

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
SCHEMBL7046584 0.77 PPARG (0.62) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7038239 0.76 PPARD (0.60) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL8444660 0.76 LTB4R (0.37) PPARAPPARGPPARD
SCHEMBL7044166 0.74 CETP (0.40) PPARAPPARGPPARD
SCHEMBL7041790 0.74 PPARA (0.64) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7040885 0.74 PPARG (0.65) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6559384 0.74 PPARG (0.36) PPARAPPARGPPARD
SCHEMBL7041506 0.73 PPARA (0.64) PPARAPPARGPPARD
SCHEMBL6559972 0.73 LTB4R (0.34) PPARAPPARGPPARD
SCHEMBL7044491 0.72 PPARG (0.51) PPARAPPARGPPARDNR1H2NR1H3

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 7 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
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