SCHEMBL9014545

SCHEMBL9014545

O=C(O)COc1cccc2c1CCCC2CON=C(c1cccnc1)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.68
PTGIR P43119 9/20 0.59
KDM4C Q9H3R0 3/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL9014541 1.00 TBXAS1 (0.68) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014637 0.93 TBXAS1 (0.79) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014640 0.93 TBXAS1 (0.79) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014420 0.88 TBXAS1 (0.87) TBXAS1PTGIRKDM4C
SCHEMBL9014417 0.88 TBXAS1 (0.87) TBXAS1PTGIRKDM4C
SCHEMBL9014533 0.87 TBXAS1 (0.66) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014539 0.87 TBXAS1 (0.66) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014204 0.85 TBXAS1 (0.69) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014208 0.85 TBXAS1 (0.69) TBXAS1PTGIRKDM4CPTGDR2
SCHEMBL9014486 0.85 TBXAS1 (0.57) TBXAS1PTGIRKDM4CPTGDR2

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