SCHEMBL9014629

SCHEMBL9014629

O=C(O)COc1cccc2c1CCCC2/C=C/CONC(Cc1cc[nH]c1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.45
TBXAS1 P24557 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL9014633 1.00 PTGIR (0.45) PTGIRTBXAS1LIPGPTGDR2
SCHEMBL9082138 0.86 TBXAS1 (0.46) PTGIRTBXAS1LIPG
SCHEMBL9082131 0.86 TBXAS1 (0.46) PTGIRTBXAS1LIPG
SCHEMBL9014203 0.86 TBXAS1 (0.46) PTGIRTBXAS1LIPG
SCHEMBL9014153 0.85 TBXAS1 (0.46) PTGIRTBXAS1LIPG
SCHEMBL9014158 0.85 TBXAS1 (0.46) PTGIRTBXAS1LIPG
SCHEMBL9014156 0.85 TBXAS1 (0.46) PTGIRTBXAS1LIPG
SCHEMBL9014231 0.84 PTGIR (0.57) PTGIRTBXAS1PTGDR2
SCHEMBL9014245 0.81 PTGIR (0.49) PTGIRTBXAS1PTGDR2
SCHEMBL9014251 0.81 PTGIR (0.49) PTGIRTBXAS1PTGDR2

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