SCHEMBL9014356

SCHEMBL9014356

CCCCCC(NOCC=CC1CCCc2c(OCC(=O)O)cccc21)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 0.49
TBXAS1 P24557 3/20 0.43
KDM4C Q9H3R0 2/20 0.34
PTGER1 P34995 1/20 0.34
PTGER2 P43116 1/20 0.34
PTGDR Q13258 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
SCHEMBL9014351 1.00 PTGIR (0.49) PTGIRTBXAS1KDM4CPTGER1PTGER2
SCHEMBL9014341 1.00 PTGIR (0.49) PTGIRTBXAS1KDM4CPTGER1PTGER2
SCHEMBL9014153 0.88 TBXAS1 (0.46) PTGIRTBXAS1KDM4C
SCHEMBL9014156 0.88 TBXAS1 (0.46) PTGIRTBXAS1KDM4C
SCHEMBL9014158 0.88 TBXAS1 (0.46) PTGIRTBXAS1KDM4C
SCHEMBL9014190 0.88 TBXAS1 (0.44) PTGIRTBXAS1KDM4C
SCHEMBL9014189 0.88 TBXAS1 (0.44) PTGIRTBXAS1KDM4C
SCHEMBL9014192 0.88 TBXAS1 (0.44) PTGIRTBXAS1KDM4C
SCHEMBL9014501 0.87 TBXAS1 (0.48) PTGIRTBXAS1KDM4C
SCHEMBL9014504 0.87 TBXAS1 (0.48) PTGIRTBXAS1KDM4C

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