SCHEMBL9048631

SCHEMBL9048631

O=C(O)COc1cccc2c1CCCC2C(=O)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.54
DRD4 P21917 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.46
TBXAS1 P24557 1/20 0.43

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
SCHEMBL8858437 0.91 PTGIR (0.56) PTGIRDRD4PTGDR2TBXAS1
SCHEMBL9048623 0.87 DRD4 (0.49) PTGIRDRD4
SCHEMBL8858415 0.85 PTGIR (0.56) PTGIRDRD4PTGDR2TBXAS1
SCHEMBL9049270 0.84 PTGIR (0.59) PTGIRPTGDR2TBXAS1
SCHEMBL9046175 0.83 PTGIR (0.60) PTGIRDRD4PTGDR2TBXAS1
SCHEMBL9049589 0.83 PTGIR (0.68) PTGIRPTGDR2TBXAS1
SCHEMBL9048617 0.81 DRD4 (0.42) DRD4
SCHEMBL8858477 0.80 PTGIR (0.52) PTGIRPTGDR2TBXAS1
SCHEMBL8858726 0.79 PTGIR (0.56) PTGIRPTGDR2TBXAS1
SCHEMBL9046416 0.78 PTGIR (0.70) PTGIRDRD4PTGDR2TBXAS1

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