SCHEMBL9014546

SCHEMBL9014546

O=C(O)COc1cccc2c1CCC/C2=C/CO/N=C(/c1ccccc1)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.54
PTGDR Q13258 1/20 0.54
TBXAS1 P24557 4/20 0.51
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
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
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
TBXA2R P21731 8/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9014551 1.00 PTGIR (0.54) PTGIRPTGDRTBXAS1TDP1ALDH1A1
SCHEMBL9014585 0.92 TBXAS1 (0.62) PTGIRPTGDRTBXAS1ALDH1A1TBXA2R
SCHEMBL9014587 0.92 TBXAS1 (0.62) PTGIRPTGDRTBXAS1ALDH1A1TBXA2R
SCHEMBL9014609 0.83 TBXAS1 (0.47) PTGIRPTGDRTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL9014612 0.83 TBXAS1 (0.47) PTGIRPTGDRTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL9014183 0.82 TBXAS1 (0.49) PTGIRPTGDRTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL9014179 0.82 TBXAS1 (0.49) PTGIRPTGDRTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL9014498 0.81 TBXAS1 (0.51) PTGIRPTGDRTBXAS1ALDH1A1MRGPRX4
SCHEMBL9014494 0.81 TBXAS1 (0.51) PTGIRPTGDRTBXAS1ALDH1A1MRGPRX4
SCHEMBL9014205 0.80 PTGIR (0.54) PTGIRPTGDRTBXAS1TDP1ALDH1A1

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