SCHEMBL9014515

SCHEMBL9014515

O=C(O)COc1cccc2c1CCCC2CCONC(c1cccnc1)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.59
PTGIR P43119 9/20 0.56
KDM4C Q9H3R0 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.38
TAOK1 Q7L7X3 1/20 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
SCHEMBL9014526 0.88 TBXAS1 (0.63) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014182 0.86 TBXAS1 (0.58) TBXAS1PTGIRKDM4C
SCHEMBL9014462 0.85 TBXAS1 (0.60) TBXAS1PTGIRKDM4C
SCHEMBL9014600 0.85 TBXAS1 (0.60) TBXAS1PTGIRKDM4C
SCHEMBL9014544 0.84 TBXAS1 (0.45) TBXAS1PTGIRKDM4CPTGDR2TAOK1
SCHEMBL9014552 0.84 TBXAS1 (0.45) TBXAS1PTGIRKDM4CPTGDR2TAOK1
SCHEMBL9014547 0.84 TBXAS1 (0.45) TBXAS1PTGIRKDM4CPTGDR2TAOK1
SCHEMBL9014331 0.83 PTGIR (0.58) TBXAS1PTGIRKDM4C
SCHEMBL9014599 0.82 PTGIR (0.62) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9085150 0.80 PTGIR (0.51) TBXAS1PTGIR

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