SCHEMBL9048429

SCHEMBL9048429

O=C(O)COc1cccc2c1CCCC2CCC(=O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 11/20 0.69
TBXAS1 P24557 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
SIGMAR1 Q99720 3/20 0.41

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
SCHEMBL9047142 0.90 PTGIR (0.60) PTGIRTBXAS1LTB4R2PTGDR2SIGMAR1
SCHEMBL9048020 0.89 PTGIR (0.67) PTGIRTBXAS1PTGDR2SIGMAR1
SCHEMBL8858400 0.87 PTGIR (0.75) PTGIRTBXAS1PTGDR2SIGMAR1
SCHEMBL8858404 0.85 PTGIR (0.72) PTGIRTBXAS1PTGDR2
SCHEMBL9047049 0.84 PTGIR (0.62) PTGIRTBXAS1PTGDR2SIGMAR1
SCHEMBL9048846 0.83 PTGIR (0.69) PTGIRTBXAS1PTGDR2SIGMAR1
SCHEMBL8858439 0.82 PTGIR (0.68) PTGIRTBXAS1PTGDR2
SCHEMBL9048090 0.82 PTGIR (0.69) PTGIRTBXAS1PTGDR2SIGMAR1
SCHEMBL9048458 0.82 PTGIR (0.45) PTGIRLTB4R2SIGMAR1
SCHEMBL9048557 0.82 PTGIR (1.00) PTGIRTBXAS1PTGDR2SIGMAR1

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 3 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
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed