SCHEMBL9014591

SCHEMBL9014591

COC(=O)COc1cccc2c1CCCC2CCON=C(c1ccccc1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.82
TBXAS1 P24557 1/20 0.72
PTGDR Q13258 1/20 0.44
SIGMAR1 Q99720 4/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL9085669 0.93 TBXAS1 (0.84) PTGIRTBXAS1PTGDRSIGMAR1HTR1A
SCHEMBL9085663 0.93 TBXAS1 (0.84) PTGIRTBXAS1PTGDRSIGMAR1HTR1A
SCHEMBL9014426 0.90 PTGIR (1.00) PTGIRTBXAS1PTGDR
SCHEMBL9014199 0.85 PTGIR (0.89) PTGIRTBXAS1PTGDRHTR1AADRA1D
SCHEMBL9014195 0.85 PTGIR (0.89) PTGIRTBXAS1PTGDRHTR1AADRA1D
SCHEMBL9014454 0.84 TBXAS1 (1.00) PTGIRTBXAS1PTGDR
SCHEMBL9014466 0.84 TBXAS1 (1.00) PTGIRTBXAS1PTGDR
SCHEMBL8411209 0.83 PTGIR (0.56) PTGIRTBXAS1SIGMAR1
SCHEMBL8577075 0.82 PTGIR (0.64) PTGIRTBXAS1SIGMAR1
SCHEMBL8413684 0.81 PTGIR (0.57) PTGIRTBXAS1SIGMAR1

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