SCHEMBL9014231

SCHEMBL9014231

O=C(O)COc1cccc2c1CCCC2CCONC(Cc1cc[nH]c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.57
TBXAS1 P24557 1/20 0.48
SIGMAR1 Q99720 3/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL9014462 0.86 TBXAS1 (0.60) PTGIRTBXAS1SIGMAR1
SCHEMBL9014600 0.84 TBXAS1 (0.60) PTGIRTBXAS1SIGMAR1
SCHEMBL9014633 0.84 PTGIR (0.45) PTGIRTBXAS1PTGDR2
SCHEMBL9014629 0.84 PTGIR (0.45) PTGIRTBXAS1PTGDR2
SCHEMBL9014599 0.80 PTGIR (0.62) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL9014526 0.79 TBXAS1 (0.63) PTGIRTBXAS1PTGDR2
SCHEMBL9014598 0.78 PTGIR (0.70) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL9014593 0.78 PTGIR (0.70) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL9048529 0.77 PTGIR (0.66) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL9014200 0.77 PTGIR (0.55) PTGIRSIGMAR1

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