SCHEMBL9051699

SCHEMBL9051699

O=C(O)COc1cccc2c1CCCC2CCC(=O)NOC(c1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 0.69
TBXAS1 P24557 1/20 0.51
PTGDR2 Q9Y5Y4 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
SCHEMBL8858502 0.93 PTGIR (0.60) PTGIRTBXAS1
SCHEMBL9047729 0.90 PTGIR (0.66) PTGIRTBXAS1PTGDR2
SCHEMBL9051694 0.87 PTGIR (0.52) PTGIR
SCHEMBL9048590 0.87 PTGIR (0.71) PTGIRTBXAS1PTGDR2
SCHEMBL9048216 0.87 PTGIR (0.71) PTGIRTBXAS1PTGDR2
SCHEMBL9048983 0.84 PTGIR (0.57) PTGIRTBXAS1PTGDR2
SCHEMBL9049589 0.84 PTGIR (0.68) PTGIRTBXAS1PTGDR2
SCHEMBL9005583 0.83 PTGIR (0.89) PTGIRTBXAS1PTGDR2
SCHEMBL9051691 0.83 PTGIR (0.46) PTGIR
SCHEMBL9048529 0.83 PTGIR (0.66) PTGIRTBXAS1PTGDR2

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