SCHEMBL9014331

SCHEMBL9014331

CCCCCC(NOCCC1CCCc2c(OCC(=O)O)cccc21)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 11/20 0.58
TBXAS1 P24557 3/20 0.56
KDM4C Q9H3R0 4/20 0.41
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER2 P43116 1/20 0.37
PTGDR Q13258 1/20 0.37

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
SCHEMBL9014600 0.87 TBXAS1 (0.60) PTGIRTBXAS1KDM4CHTR1AADRA1D
SCHEMBL9014182 0.87 TBXAS1 (0.58) PTGIRTBXAS1KDM4C
SCHEMBL9014526 0.86 TBXAS1 (0.63) PTGIRTBXAS1KDM4CHTR1AADRA1D
SCHEMBL9014351 0.85 PTGIR (0.49) PTGIRTBXAS1KDM4CPTGER1PTGER2
SCHEMBL9014356 0.85 PTGIR (0.49) PTGIRTBXAS1KDM4CPTGER1PTGER2
SCHEMBL9014341 0.85 PTGIR (0.49) PTGIRTBXAS1KDM4CPTGER1PTGER2
SCHEMBL9014462 0.84 TBXAS1 (0.60) PTGIRTBXAS1KDM4CHTR1AADRA1D
SCHEMBL9014515 0.83 TBXAS1 (0.59) PTGIRTBXAS1KDM4C
SCHEMBL9014599 0.81 PTGIR (0.62) PTGIRTBXAS1KDM4CHTR1AADRA1D
SCHEMBL9014294 0.79 TBXAS1 (0.40) PTGIRTBXAS1PTGER1PTGER2PTGDR

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