SCHEMBL9046402

SCHEMBL9046402

O=C(O)COc1cccc2c1CCCC2CCC(=O)Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.66
TBXAS1 P24557 1/20 0.53
ALDH1A1 P00352 3/20 0.41
KDM4C Q9H3R0 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9048484 0.91 PTGIR (0.56) PTGIRTBXAS1ALDH1A1KDM4CPTGDR2
SCHEMBL9048548 0.83 PTGIR (0.51) PTGIRTBXAS1ALDH1A1PTGDR2KDM4E
SCHEMBL9567987 0.81 ALDH1A1 (0.49) ALDH1A1KDM4CKDM4E
SCHEMBL9047770 0.81 PTGIR (0.70) PTGIRTBXAS1KDM4CPTGDR2
SCHEMBL9048557 0.79 PTGIR (1.00) PTGIRTBXAS1PTGDR2
SCHEMBL9048590 0.79 PTGIR (0.71) PTGIRTBXAS1KDM4CPTGDR2
SCHEMBL9048216 0.79 PTGIR (0.71) PTGIRTBXAS1KDM4CPTGDR2
SCHEMBL8858400 0.77 PTGIR (0.75) PTGIRTBXAS1PTGDR2
SCHEMBL9051699 0.77 PTGIR (0.69) PTGIRTBXAS1PTGDR2
SCHEMBL9155513 0.77 PTGIR (0.69) PTGIRTBXAS1KDM4CPTGDR2

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