SCHEMBL3974866

SCHEMBL3974866

CC(=O)OC1CCCn2c1c(C(=O)c1ccc(Cl)cc1)c1c(S(C)(=O)=O)ccnc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 20/20 0.55
PTGDR Q13258 15/20 0.55
PTGER1 P34995 2/20 0.46
PTGFR P43088 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
PTGDR2 Q9Y5Y4 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
SCHEMBL2922261 0.84 TBXA2R (0.55) TBXA2RPTGDRPTGER1PTGFRPTGER3
SCHEMBL990995 0.83 TBXA2R (0.73) TBXA2RPTGDRPTGER1PTGFRPTGER3
SCHEMBL1254339 0.82 TBXA2R (0.54) TBXA2RPTGDRPTGER1PTGFRPTGER3
SCHEMBL4321145 0.77 TBXA2R (0.62) TBXA2RPTGDRPTGER1PTGFRPTGER3
SCHEMBL4318470 0.77 TBXA2R (0.76) TBXA2RPTGDR
SCHEMBL4321521 0.72 TBXA2R (0.75) TBXA2RPTGDR
SCHEMBL12923780 0.69 TBXA2R (0.61) TBXA2RPTGDRPTGER1PTGFRPTGER3
SCHEMBL3148394 0.67 TBXA2R (0.73) TBXA2RPTGDRPTGER1PTGFRPTGER3
SCHEMBL991162 0.64 TBXA2R (1.00) TBXA2RPTGDR
SCHEMBL991147 0.64 PTGDR (1.00) TBXA2RPTGDR

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-1874301-A4 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2009-05-06 EP disclosed
EP-1874301-A1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2008-01-09 EP disclosed
EP-1855649-A2 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
WO-2006113150-A1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2006-10-26 WO disclosed
WO-2006089309-A2 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS MERCK & CO., INC. (US) 2006-08-24 WO disclosed
EP-1624871-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS AND PHARMACEUTICAL COMPOSITIONS Merck & Co., Inc. (a New Jersey corp.) (US) 2006-02-15 EP disclosed
WO-2004103370-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS AND PHARMACEUTICAL COMPOSITIONS MERCK & CO., INC. (US) 2004-12-02 WO disclosed