SCHEMBL9014542

SCHEMBL9014542

O=C(O)COc1cccc2c1CC/C(=C/CO/N=C(/CC1CCCC1)c1cccnc1)C2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.47
PTGIR P43119 13/20 0.43
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9014548 1.00 TBXAS1 (0.47) TBXAS1PTGIRALDH1A1
SCHEMBL9014211 0.88 TBXAS1 (0.48) TBXAS1PTGIRALDH1A1
SCHEMBL9014210 0.88 TBXAS1 (0.48) TBXAS1PTGIRALDH1A1
SCHEMBL9014267 0.87 TBXAS1 (0.45) TBXAS1PTGIRALDH1A1
SCHEMBL9014270 0.87 TBXAS1 (0.45) TBXAS1PTGIRALDH1A1
SCHEMBL9014299 0.85 TBXAS1 (0.43) TBXAS1PTGIRALDH1A1
SCHEMBL9014292 0.85 TBXAS1 (0.43) TBXAS1PTGIRALDH1A1
SCHEMBL9014272 0.85 TBXAS1 (0.57) TBXAS1PTGIR
SCHEMBL9014275 0.85 TBXAS1 (0.57) TBXAS1PTGIR
SCHEMBL9014463 0.84 TBXAS1 (0.49) TBXAS1PTGIR

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