SCHEMBL9014558

SCHEMBL9014558

O=C(O)COc1cccc2c1CCCC2C=CCON=C(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.67
TBXAS1 P24557 1/20 0.59
PTGDR Q13258 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL9014550 1.00 PTGIR (0.67) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014488 1.00 PTGIR (0.67) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014458 0.95 PTGIR (0.61) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014443 0.95 PTGIR (0.61) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014449 0.95 PTGIR (0.61) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014419 0.93 TBXAS1 (0.72) PTGIRTBXAS1PTGDR
SCHEMBL9014424 0.93 TBXAS1 (0.72) PTGIRTBXAS1PTGDR
SCHEMBL9014432 0.93 TBXAS1 (0.72) PTGIRTBXAS1PTGDR
SCHEMBL9014617 0.84 PTGIR (0.49) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014620 0.84 PTGIR (0.49) 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 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 claimed
US-5480998-A Oxime derivative ONO PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US claimed
EP-0581187-A1 Oxime derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-02-02 EP claimed