SCHEMBL9014277

SCHEMBL9014277

O=C(O)COc1cccc2c1CCCC2CO/N=C(/c1ccccc1)c1ccncc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.75
TBXAS1 P24557 1/20 0.73
PTGDR Q13258 1/20 0.48
KDM4C Q9H3R0 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
TBXA2R P21731 1/20 0.38

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
SCHEMBL9014281 1.00 PTGIR (0.75) PTGIRTBXAS1PTGDRKDM4CPTGDR2
SCHEMBL9014417 0.92 TBXAS1 (0.87) PTGIRTBXAS1PTGDRKDM4CTBXA2R
SCHEMBL9014420 0.92 TBXAS1 (0.87) PTGIRTBXAS1PTGDRKDM4CTBXA2R
SCHEMBL9014199 0.92 PTGIR (0.89) PTGIRTBXAS1PTGDRKDM4CPTGDR2
SCHEMBL9014195 0.92 PTGIR (0.89) PTGIRTBXAS1PTGDRKDM4CPTGDR2
SCHEMBL9014426 0.85 PTGIR (1.00) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014454 0.85 TBXAS1 (1.00) PTGIRTBXAS1PTGDRKDM4CTBXA2R
SCHEMBL9014466 0.85 TBXAS1 (1.00) PTGIRTBXAS1PTGDRKDM4CTBXA2R
SCHEMBL9014443 0.83 PTGIR (0.61) PTGIRTBXAS1PTGDRKDM4CPTGDR2
SCHEMBL9014458 0.83 PTGIR (0.61) PTGIRTBXAS1PTGDRKDM4CPTGDR2

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