SCHEMBL9014598

SCHEMBL9014598

O=C(O)COc1cccc2c1CCCC2CCON=C(Cc1cc[nH]c1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 11/20 0.70
TBXAS1 P24557 1/20 0.62
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
SIGMAR1 Q99720 3/20 0.37

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
SCHEMBL9014593 1.00 PTGIR (0.70) PTGIRTBXAS1PTGDRPTGDR2SIGMAR1
SCHEMBL9014568 0.92 PTGIR (0.59) PTGIRTBXAS1PTGDRPTGDR2SIGMAR1
SCHEMBL9014561 0.92 PTGIR (0.59) PTGIRTBXAS1PTGDRPTGDR2SIGMAR1
SCHEMBL9014229 0.85 TBXAS1 (0.77) PTGIRTBXAS1PTGDR
SCHEMBL9014223 0.85 TBXAS1 (0.77) PTGIRTBXAS1PTGDR
SCHEMBL9014455 0.84 TBXAS1 (0.79) PTGIRTBXAS1PTGDRSIGMAR1
SCHEMBL9014452 0.84 TBXAS1 (0.79) PTGIRTBXAS1PTGDRSIGMAR1
SCHEMBL9014617 0.84 PTGIR (0.49) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014620 0.84 PTGIR (0.49) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014426 0.83 PTGIR (1.00) PTGIRTBXAS1PTGDRPTGDR2

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