SCHEMBL13629371

SCHEMBL13629371

CC(C)c1cccc2c1c(Sc1ccccc1)c1n2CCC1CC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 18/20 0.64
PTGDR Q13258 10/20 0.60
PTGER1 P34995 2/20 0.55
PTGER3 P43115 2/20 0.55
PTGER2 P43116 2/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.55
PTGER4 P35408 1/20 0.55
PTGFR P43088 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
SCHEMBL5777316 0.78 TBXA2R (1.00) TBXA2RPTGDRPTGDR2
SCHEMBL5778629 0.77 TBXA2R (0.76) TBXA2RPTGDRPTGDR2
SCHEMBL5835535 0.76 TBXA2R (0.77) TBXA2RPTGDRPTGER1PTGER3PTGER2
SCHEMBL5835872 0.76 TBXA2R (0.84) TBXA2RPTGDRPTGDR2
SCHEMBL5776865 0.75 TBXA2R (0.59) TBXA2RPTGDRPTGDR2
SCHEMBL5777305 0.74 TBXA2R (1.00) TBXA2RPTGDRPTGDR2
SCHEMBL5778917 0.73 TBXA2R (0.74) TBXA2RPTGDRPTGDR2
SCHEMBL13416145 0.73 TBXA2R (0.90) TBXA2RPTGDRPTGDR2
SCHEMBL5775353 0.72 TBXA2R (1.00) TBXA2RPTGDRPTGDR2
SCHEMBL5779067 0.72 TBXA2R (0.69) TBXA2RPTGDRPTGER1PTGER3PTGER2

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-7618979-B2 Pyridopyrrolizine and pyridoindolizine derivatives MERCK FROSST CANADA LTD. (CA) 2009-11-17 US disclosed