SCHEMBL9014447

SCHEMBL9014447

CCCCCC(NOCCC1=CCCc2c(OCC(=O)O)cccc21)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.51
PTGDR Q13258 2/20 0.48
TBXAS1 P24557 4/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.36
PTGER1 P34995 1/20 0.34
PTGER2 P43116 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
TSHR P16473 1/20 0.33
PDE4D Q08499 1/20 0.32

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
SCHEMBL9014427 0.87 PTGIR (0.55) PTGIRPTGDRTBXAS1KMT2ASIGMAR1
SCHEMBL9014581 0.86 PTGIR (0.58) PTGIRPTGDRTBXAS1KMT2ASIGMAR1
SCHEMBL9014666 0.85 PTGIR (0.51) PTGIRPTGDRTBXAS1
SCHEMBL9014274 0.84 PTGIR (0.55) PTGIRPTGDRTBXAS1KMT2ASIGMAR1
SCHEMBL9085150 0.81 PTGIR (0.51) PTGIRPTGDRTBXAS1
SCHEMBL9014489 0.81 PTGIR (0.58) PTGIRPTGDRTBXAS1SIGMAR1
SCHEMBL9014294 0.80 TBXAS1 (0.40) PTGIRPTGDRTBXAS1PTGDR2PTGER1
SCHEMBL9014287 0.80 TBXAS1 (0.40) PTGIRPTGDRTBXAS1PTGDR2PTGER1
SCHEMBL9014331 0.79 PTGIR (0.58) PTGIRPTGDRTBXAS1PTGER1PTGER2
SCHEMBL9014440 0.77 PTGIR (0.62) PTGIRPTGDRTBXAS1

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