SCHEMBL9014525

SCHEMBL9014525

O=C(O)COc1cccc2c1CCCC2=CCON=C(CC1CCCC1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.49
PTGIR P43119 9/20 0.41
PTGDR Q13258 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL9014518 1.00 TBXAS1 (0.49) TBXAS1PTGIRPTGDRALDH1A1MRGPRX4
SCHEMBL9014498 0.87 TBXAS1 (0.51) TBXAS1PTGIRPTGDRALDH1A1MRGPRX4
SCHEMBL9014494 0.87 TBXAS1 (0.51) TBXAS1PTGIRPTGDRALDH1A1MRGPRX4
SCHEMBL9014183 0.87 TBXAS1 (0.49) TBXAS1PTGIRPTGDRALDH1A1MRGPRX4
SCHEMBL9014179 0.87 TBXAS1 (0.49) TBXAS1PTGIRPTGDRALDH1A1MRGPRX4
SCHEMBL9014585 0.85 TBXAS1 (0.62) TBXAS1PTGIRPTGDRALDH1A1MRGPRX4
SCHEMBL9014587 0.85 TBXAS1 (0.62) TBXAS1PTGIRPTGDRALDH1A1MRGPRX4
SCHEMBL9014468 0.85 TBXAS1 (0.45) TBXAS1PTGIRPTGDRALDH1A1
SCHEMBL9014473 0.85 TBXAS1 (0.45) TBXAS1PTGIRPTGDRALDH1A1
SCHEMBL9014609 0.85 TBXAS1 (0.47) 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 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