SCHEMBL9048137

SCHEMBL9048137

O=C(O)COc1cccc2c1CCC(CC(=O)N(c1ccccc1)c1cccnc1)C2

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.64
TBXAS1 P24557 2/20 0.60
PTGDR Q13258 1/20 0.50

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
SCHEMBL8858407 0.86 PTGIR (0.84) PTGIRTBXAS1PTGDR
SCHEMBL9049917 0.79 PTGIR (0.68) PTGIRTBXAS1
SCHEMBL9048018 0.78 TBXAS1 (0.67) PTGIRTBXAS1PTGDR
SCHEMBL7772466 0.78 PTGIR (1.00) PTGIRPTGDR
SCHEMBL9427446 0.78 PTGIR (1.00) PTGIRPTGDR
SCHEMBL9046251 0.78 PTGIR (0.66) PTGIRTBXAS1PTGDR
SCHEMBL8858443 0.77 PTGIR (0.68) PTGIRPTGDR
SCHEMBL7776662 0.76 PTGIR (0.81) PTGIRPTGDR
SCHEMBL9047207 0.76 TBXAS1 (0.52) PTGIRTBXAS1PTGDR
SCHEMBL8858496 0.76 PTGIR (0.66) PTGIRTBXAS1PTGDR

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 2 patents. 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
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed