SCHEMBL9014467

SCHEMBL9014467

O=C(O)COc1cccc2c1CCC(=CCON=C(Cc1cccnc1)c1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.45
PTGIR P43119 8/20 0.41
PTGDR Q13258 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXRB P28702 3/20 0.35
RXRA P19793 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
NOTUM Q6P988 1/20 0.34
RXRG P48443 1/20 0.34
MAPK1 P28482 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
SCHEMBL9014457 1.00 TBXAS1 (0.45) TBXAS1PTGIRPTGDRHTTSMN1; SMN2
SCHEMBL9014270 0.95 TBXAS1 (0.45) TBXAS1PTGIRPTGDRHTTRXRB
SCHEMBL9014267 0.95 TBXAS1 (0.45) TBXAS1PTGIRPTGDRHTTRXRB
SCHEMBL9014275 0.87 TBXAS1 (0.57) TBXAS1PTGIRPTGDR
SCHEMBL9014272 0.87 TBXAS1 (0.57) TBXAS1PTGIRPTGDR
SCHEMBL9014459 0.85 PTGIR (0.42) TBXAS1PTGIRPTGDRRXRBRXRA
SCHEMBL9014465 0.85 PTGIR (0.42) TBXAS1PTGIRPTGDRRXRBRXRA
SCHEMBL9014292 0.84 TBXAS1 (0.43) TBXAS1PTGIRHTTALDH1A1LMNA
SCHEMBL9014299 0.84 TBXAS1 (0.43) TBXAS1PTGIRHTTALDH1A1LMNA
SCHEMBL9014548 0.83 TBXAS1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581187-B1 Oxime derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed