SCHEMBL9014585

SCHEMBL9014585

O=C(O)COc1cccc2c1CCC/C2=C/CO/N=C(/c1ccccc1)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.62
PTGIR P43119 3/20 0.51
PTGDR Q13258 1/20 0.51
TBXA2R P21731 7/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
MRGPRX4 Q96LA9 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
SCHEMBL9014587 1.00 TBXAS1 (0.62) TBXAS1PTGIRPTGDRTBXA2RALDH1A1
SCHEMBL9014546 0.92 PTGIR (0.54) TBXAS1PTGIRPTGDRTBXA2RALDH1A1
SCHEMBL9014551 0.92 PTGIR (0.54) TBXAS1PTGIRPTGDRTBXA2RALDH1A1
SCHEMBL9014179 0.88 TBXAS1 (0.49) TBXAS1PTGIRPTGDRALDH1A1MAPT
SCHEMBL9014183 0.88 TBXAS1 (0.49) TBXAS1PTGIRPTGDRALDH1A1MAPT
SCHEMBL9014609 0.87 TBXAS1 (0.47) TBXAS1PTGIRPTGDRALDH1A1KMT2A
SCHEMBL9014612 0.87 TBXAS1 (0.47) TBXAS1PTGIRPTGDRALDH1A1KMT2A
SCHEMBL9014494 0.87 TBXAS1 (0.51) TBXAS1PTGIRPTGDRALDH1A1MRGPRX4
SCHEMBL9014498 0.87 TBXAS1 (0.51) TBXAS1PTGIRPTGDRALDH1A1MRGPRX4
SCHEMBL9014525 0.85 TBXAS1 (0.49) TBXAS1PTGIRPTGDRALDH1A1MRGPRX4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581187-B1 Oxime derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP claimed
US-5480998-A Oxime derivative ONO PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US claimed
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