SCHEMBL27612950

SCHEMBL27612950

CC(=O)OC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(S(C)(=O)=O)nccc12

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 20/20 0.77
TBXA2R P21731 19/20 0.77
PTGER1 P34995 2/20 0.57
PTGER3 P43115 2/20 0.57
PTGER2 P43116 2/20 0.57
PTGDR2 Q9Y5Y4 2/20 0.57
PTGER4 P35408 1/20 0.57
PTGFR P43088 1/20 0.57

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
SCHEMBL1253026 0.87 PTGDR (1.00) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL2921193 0.85 PTGDR (0.77) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL992456 0.84 PTGDR (1.00) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL18269300 0.83 PTGDR (0.84) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL991172 0.78 TBXA2R (1.00) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL4322636 0.77 PTGDR (0.78) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL14621526 0.75 PTGDR (0.84) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL18269309 0.75 PTGDR (0.67) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL1253049 0.75 PTGDR (0.59) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL13668572 0.74 PTGDR (0.79) PTGDRTBXA2RPTGER1PTGER3PTGER2

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
CN-1732171-A Pyridopyrrolizine and pyridoindolizine derivatives MERCK FROSST CANADA INC (CA) 2006-02-08 CN disclosed