SCHEMBL9014552

SCHEMBL9014552

O=C(O)COc1cccc2c1CCCC2C=CCONC(c1cccnc1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.45
PTGIR P43119 12/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
TAOK1 Q7L7X3 1/20 0.35
PTGES O14684 1/20 0.33

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
SCHEMBL9014544 1.00 TBXAS1 (0.45) TBXAS1PTGIRPTGDR2KDM4CTAOK1
SCHEMBL9014547 1.00 TBXAS1 (0.45) TBXAS1PTGIRPTGDR2KDM4CTAOK1
SCHEMBL9014501 0.88 TBXAS1 (0.48) TBXAS1PTGIRPTGDR2KDM4C
SCHEMBL9014509 0.88 TBXAS1 (0.48) TBXAS1PTGIRPTGDR2KDM4C
SCHEMBL9014504 0.88 TBXAS1 (0.48) TBXAS1PTGIRPTGDR2KDM4C
SCHEMBL9014190 0.87 TBXAS1 (0.44) TBXAS1PTGIRPTGDR2KDM4C
SCHEMBL9014189 0.87 TBXAS1 (0.44) TBXAS1PTGIRPTGDR2KDM4C
SCHEMBL9014192 0.87 TBXAS1 (0.44) TBXAS1PTGIRPTGDR2KDM4C
SCHEMBL9014156 0.86 TBXAS1 (0.46) TBXAS1PTGIRKDM4C
SCHEMBL9014158 0.86 TBXAS1 (0.46) 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 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