SCHEMBL9014267

SCHEMBL9014267

O=C(O)COc1cccc2c1CC/C(=C/CO/N=C(/Cc1ccccc1)c1cccnc1)C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.45
PTGIR P43119 9/20 0.41
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGDR Q13258 1/20 0.36
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL9014270 1.00 TBXAS1 (0.45) TBXAS1PTGIRKDM4EKMT2ALMNA
SCHEMBL9014467 0.95 TBXAS1 (0.45) TBXAS1PTGIRKDM4ELMNAALDH1A1
SCHEMBL9014457 0.95 TBXAS1 (0.45) TBXAS1PTGIRKDM4ELMNAALDH1A1
SCHEMBL9014272 0.88 TBXAS1 (0.57) TBXAS1PTGIRPTGDR
SCHEMBL9014275 0.88 TBXAS1 (0.57) TBXAS1PTGIRPTGDR
SCHEMBL9014292 0.87 TBXAS1 (0.43) TBXAS1PTGIRLMNAALDH1A1HTT
SCHEMBL9014299 0.87 TBXAS1 (0.43) TBXAS1PTGIRLMNAALDH1A1HTT
SCHEMBL9014548 0.87 TBXAS1 (0.47) TBXAS1PTGIRALDH1A1
SCHEMBL9014542 0.87 TBXAS1 (0.47) TBXAS1PTGIRALDH1A1
SCHEMBL9014210 0.83 TBXAS1 (0.48) TBXAS1PTGIRALDH1A1

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