SCHEMBL6406547

SCHEMBL6406547

CCCc1c(OCCCN2C(=O)NC(C)(c3cccc(C(=O)O)c3)C2=O)ccc2c(C(F)(F)F)onc12

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.59
NR1H3 Q13133 15/20 0.51
PPARA Q07869 1/20 0.46

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
SCHEMBL6405303 0.92 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL6099253 0.87 NR1H2 (0.65) NR1H2NR1H3PPARA
SCHEMBL6407486 0.87 NR1H2 (0.55) NR1H2NR1H3
SCHEMBL6406340 0.86 NR1H2 (0.56) NR1H2NR1H3
SCHEMBL6405163 0.84 NR1H2 (0.50) NR1H2NR1H3
SCHEMBL6407509 0.83 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL6405855 0.79 NR1H2 (0.48) NR1H2NR1H3PPARA
SCHEMBL5323591 0.79 NR1H2 (0.76) NR1H2NR1H3PPARA
SCHEMBL6410481 0.79 NR1H2 (0.60) NR1H2NR1H3
SCHEMBL6406094 0.79 NR1H2 (0.51) NR1H2NR1H3PPARA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534696-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS Merck & Co., Inc. (US) 2005-06-01 EP claimed
EP-1509229-A1 COMPOSITIONS COMPRISING HEPOXILIN ANALOGS AND THEIR USE IN THE TREATMENT OF CANCER The Hospital for Sick Children (CA) 2005-03-02 EP claimed
WO-2004011448-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO., INC. (US) 2004-02-05 WO claimed
WO-2003099285-A1 COMPOSITIONS COMPRISING HEPOXILIN ANALOGS AND THEIR USE IN THE TREATMENT OF CANCER THE HOSPITAL FOR SICK CHILDREN (CA) 2003-12-04 WO claimed
EP-1534696-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2004011448-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO., INC. (US) 2004-02-05 WO disclosed