SCHEMBL9014459

SCHEMBL9014459

O=C(O)COc1cccc2c1CC/C(=C/CO/N=C(\Cc1cc[nH]c1)c1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 0.42
PTGDR Q13258 1/20 0.36
RXRB P28702 4/20 0.34
RXRA P19793 3/20 0.34
RXRG P48443 2/20 0.34
TBXAS1 P24557 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL9014465 1.00 PTGIR (0.42) PTGIRPTGDRRXRBRXRARXRG
SCHEMBL9014467 0.85 TBXAS1 (0.45) PTGIRPTGDRRXRBRXRARXRG
SCHEMBL9014457 0.85 TBXAS1 (0.45) PTGIRPTGDRRXRBRXRARXRG
SCHEMBL9014270 0.83 TBXAS1 (0.45) PTGIRPTGDRRXRBRXRARXRG
SCHEMBL9014267 0.83 TBXAS1 (0.45) PTGIRPTGDRRXRBRXRARXRG
SCHEMBL9014800 0.83 PTGIR (0.42) PTGIRPTGDRRXRBRXRARXRG
SCHEMBL9014807 0.83 PTGIR (0.42) PTGIRPTGDRRXRBRXRARXRG
SCHEMBL9014616 0.82 PTGIR (0.49) PTGIRTBXAS1
SCHEMBL9014622 0.82 PTGIR (0.49) PTGIRTBXAS1
SCHEMBL9014582 0.79 PTGIR (0.69) PTGIRPTGDRTBXAS1

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-0581187-B1 Oxime derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
US-5480998-A Oxime derivative ONO PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
EP-0581187-A1 Oxime derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-02-02 EP disclosed