SCHEMBL9050877

SCHEMBL9050877

NC(=O)C(Cc1ccccc1)(Cc1ccccc1)C1CCCc2c(OCC(=O)O)cccc21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 14/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.46
TBXAS1 P24557 1/20 0.44
LIPG Q9Y5X9 1/20 0.42

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
SCHEMBL9567961 0.77 EPHX2 (0.43)
SCHEMBL1838402 0.76 PTGIR (0.56) PTGIRPTGDR2TBXAS1LIPG
SCHEMBL1838407 0.76 PTGIR (0.56) PTGIRPTGDR2TBXAS1LIPG
SCHEMBL9048026 0.75 SMN1; SMN2 (0.33)
SCHEMBL9047031 0.75 PTGIR (0.48) PTGIRPTGDR2TBXAS1LIPG
SCHEMBL9048717 0.74 PTGIR (0.50) PTGIRPTGDR2TBXAS1LIPG
SCHEMBL8858726 0.74 PTGIR (0.56) PTGIRPTGDR2TBXAS1
SCHEMBL16977136 0.73 PTGDR2 (0.56) PTGIRPTGDR2TBXAS1
SCHEMBL9050868 0.73 PTGIR (0.64) PTGIRPTGDR2TBXAS1
SCHEMBL8858393 0.72 PTGIR (0.52) PTGIRPTGDR2TBXAS1LIPG

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
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed