SCHEMBL9014207

SCHEMBL9014207

O=C(O)COc1cccc2c1CCC(=CCON=C(c1ccccc1)c1ccncc1)C2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.54
TBXAS1 P24557 5/20 0.47
PTGDR Q13258 1/20 0.47
TDP1 Q9NUW8 1/20 0.41
TBXA2R P21731 10/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9014205 1.00 PTGIR (0.54) PTGIRTBXAS1PTGDRTDP1TBXA2R
SCHEMBL9014275 0.92 TBXAS1 (0.57) PTGIRTBXAS1PTGDRTBXA2R
SCHEMBL9014272 0.92 TBXAS1 (0.57) PTGIRTBXAS1PTGDRTBXA2R
SCHEMBL9014267 0.82 TBXAS1 (0.45) PTGIRTBXAS1PTGDRALDH1A1
SCHEMBL9014457 0.82 TBXAS1 (0.45) PTGIRTBXAS1PTGDRALDH1A1SMN1; SMN2
SCHEMBL9014467 0.82 TBXAS1 (0.45) PTGIRTBXAS1PTGDRALDH1A1SMN1; SMN2
SCHEMBL9014270 0.82 TBXAS1 (0.45) PTGIRTBXAS1PTGDRALDH1A1
SCHEMBL9014551 0.80 PTGIR (0.54) PTGIRTBXAS1PTGDRTDP1TBXA2R
SCHEMBL9014546 0.80 PTGIR (0.54) PTGIRTBXAS1PTGDRTDP1TBXA2R
SCHEMBL9014210 0.80 TBXAS1 (0.48) PTGIRTBXAS1ALDH1A1

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