SCHEMBL8410508

SCHEMBL8410508

CC(=O)Oc1cccc2c1CCC(Cn1c(-c3ccccc3)c(-c3ccccc3)n(-c3ccccc3)c1=O)C2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.44
PTGDR Q13258 9/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL8414277 0.91 PTGIR (0.40) PTGIRPTGDRSIGMAR1
SCHEMBL8410505 0.87 PTGIR (0.59) PTGIRPTGDR
SCHEMBL8414185 0.87 PTGIR (0.42) PTGIRPTGDRSIGMAR1
SCHEMBL8412804 0.80 PTGIR (0.41) PTGIRPTGDRSIGMAR1
SCHEMBL8414275 0.79 PTGIR (0.54) PTGIRPTGDR
SCHEMBL8414302 0.77 PTGIR (0.44) PTGIRPTGDR
SCHEMBL8412021 0.77 PTGIR (0.51) PTGIRPTGDR
SCHEMBL8414374 0.76 PTGIR (0.43) PTGIRPTGDR
SCHEMBL8411306 0.75 PTGIR (0.41) PTGIRPTGDR
SCHEMBL8414274 0.75 SIGMAR1 (0.46) PTGIRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP claimed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP claimed
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5849919-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor anonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed