SCHEMBL14401271

SCHEMBL14401271

Bc1ccc(Sc2c3n(c4nccc(S(C)(=O)=O)c24)CCCC3CC(=O)O)cc1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 20/20 0.85
TBXA2R P21731 19/20 0.85
PDE2A O00408 1/20 0.55

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
SCHEMBL14449868 0.92 PTGDR (1.00) PTGDRTBXA2RPDE2A
SCHEMBL1042323 0.92 PTGDR (1.00) PTGDRTBXA2RPDE2A
SCHEMBL990454 0.92 TBXA2R (1.00) PTGDRTBXA2RPDE2A
SCHEMBL3872881 0.91 PTGDR (1.00) PTGDRTBXA2RPDE2A
SCHEMBL991127 0.91 TBXA2R (1.00) PTGDRTBXA2RPDE2A
SCHEMBL991078 0.89 PTGDR (1.00) PTGDRTBXA2RPDE2A
SCHEMBL990560 0.87 TBXA2R (0.84) PTGDRTBXA2RPDE2A
SCHEMBL991162 0.87 TBXA2R (1.00) PTGDRTBXA2R
SCHEMBL22722578 0.87 TBXA2R (0.90) PTGDRTBXA2RPDE2A
SCHEMBL991147 0.82 PTGDR (1.00) PTGDRTBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007120575-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-10-25 WO disclosed