SCHEMBL9014191

SCHEMBL9014191

O=C(O)COc1cccc2c1CCCC2C=CCON=C(CC1CCCC1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.56
PTGIR P43119 11/20 0.47
ALDH1A1 P00352 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
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
SCHEMBL9014187 1.00 TBXAS1 (0.56) TBXAS1PTGIRALDH1A1KDM4CPTGDR2
SCHEMBL9014188 1.00 TBXAS1 (0.56) TBXAS1PTGIRALDH1A1KDM4CPTGDR2
SCHEMBL9014480 0.89 TBXAS1 (0.58) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014478 0.89 TBXAS1 (0.58) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014474 0.89 TBXAS1 (0.58) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014481 0.88 TBXAS1 (0.57) TBXAS1PTGIRALDH1A1KDM4CPTGDR2
SCHEMBL9014477 0.88 TBXAS1 (0.57) TBXAS1PTGIRALDH1A1KDM4CPTGDR2
SCHEMBL9014486 0.88 TBXAS1 (0.57) TBXAS1PTGIRALDH1A1KDM4CPTGDR2
SCHEMBL9014424 0.88 TBXAS1 (0.72) TBXAS1PTGIR
SCHEMBL9014432 0.88 TBXAS1 (0.72) 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