SCHEMBL9048378

SCHEMBL9048378

O=C(O)COc1cccc2c1CCC(CCC(=O)NC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.68
TBXAS1 P24557 2/20 0.51

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
SCHEMBL9048143 0.90 PTGIR (0.70) PTGIRTBXAS1
SCHEMBL8858396 0.85 PTGIR (0.61) PTGIRTBXAS1
SCHEMBL8858445 0.84 PTGIR (0.62) PTGIRTBXAS1
SCHEMBL9051037 0.83 PTGIR (0.81) PTGIR
SCHEMBL9048018 0.83 TBXAS1 (0.67) PTGIRTBXAS1
SCHEMBL9005607 0.82 PTGIR (0.74) PTGIRTBXAS1
SCHEMBL8858458 0.82 PTGIR (0.58) PTGIRTBXAS1
SCHEMBL8858398 0.82 PTGIR (0.59) PTGIRTBXAS1
SCHEMBL9045885 0.82 PTGIR (0.58) PTGIRTBXAS1
SCHEMBL9048366 0.81 PTGIR (0.43) PTGIR

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