SCHEMBL9014190

SCHEMBL9014190

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

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.44
PTGIR P43119 14/20 0.43
KDM4C Q9H3R0 2/20 0.37
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
SCHEMBL9014192 1.00 TBXAS1 (0.44) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014189 1.00 TBXAS1 (0.44) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014158 0.90 TBXAS1 (0.46) TBXAS1PTGIRKDM4C
SCHEMBL9014153 0.90 TBXAS1 (0.46) TBXAS1PTGIRKDM4C
SCHEMBL9014156 0.90 TBXAS1 (0.46) TBXAS1PTGIRKDM4C
SCHEMBL9014504 0.89 TBXAS1 (0.48) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014509 0.89 TBXAS1 (0.48) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014501 0.89 TBXAS1 (0.48) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014351 0.88 PTGIR (0.49) TBXAS1PTGIRKDM4C
SCHEMBL9014341 0.88 PTGIR (0.49) TBXAS1PTGIRKDM4C

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