SCHEMBL6316993

SCHEMBL6316993

CCOC(=Cc1ccc(OCC2CN(C)c3ccccc3O2)cc1)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.49
PTGDR Q13258 2/20 0.47
TBXA2R P21731 1/20 0.47

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
SCHEMBL6316987 1.00 PTGIR (0.49) PTGIRPTGDRTBXA2R
SCHEMBL14265713 0.94 PTGIR (0.50) PTGIRPTGDRTBXA2R
SCHEMBL6802981 0.91 PTGIR (0.52) PTGIRPTGDRTBXA2R
SCHEMBL6802991 0.91 PTGIR (0.52) PTGIRPTGDRTBXA2R
SCHEMBL6802985 0.91 PTGIR (0.52) PTGIRPTGDRTBXA2R
SCHEMBL6317472 0.87 SIRT1 (0.44) PTGIRPTGDR
SCHEMBL6317477 0.87 SIRT1 (0.44) PTGIRPTGDR
SCHEMBL14286249 0.85 PTGIR (0.50) PTGIRPTGDRTBXA2R
SCHEMBL14265716 0.81 NR1H4 (0.45) PTGIR
SCHEMBL5107348 0.79 PTGIR (0.52) PTGIRPTGDRTBXA2R

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
US-6846824-B2 Bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2005-01-25 US disclosed