SCHEMBL9014612

SCHEMBL9014612

O=C(O)COc1cccc2c1CCCC2=CCON=C(Cc1cccnc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.47
PTGIR P43119 6/20 0.42
PTGDR Q13258 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
NOTUM Q6P988 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL9014609 1.00 TBXAS1 (0.47) TBXAS1PTGIRPTGDRMRGPRX4HTT
SCHEMBL9014183 0.96 TBXAS1 (0.49) TBXAS1PTGIRPTGDRMRGPRX4HTT
SCHEMBL9014179 0.96 TBXAS1 (0.49) TBXAS1PTGIRPTGDRMRGPRX4HTT
SCHEMBL9014587 0.87 TBXAS1 (0.62) TBXAS1PTGIRPTGDRMRGPRX4KMT2A
SCHEMBL9014585 0.87 TBXAS1 (0.62) TBXAS1PTGIRPTGDRMRGPRX4KMT2A
SCHEMBL9014525 0.85 TBXAS1 (0.49) TBXAS1PTGIRPTGDRMRGPRX4ALDH1A1
SCHEMBL9014518 0.85 TBXAS1 (0.49) TBXAS1PTGIRPTGDRMRGPRX4ALDH1A1
SCHEMBL9014807 0.84 PTGIR (0.42) TBXAS1PTGIRPTGDRMRGPRX4
SCHEMBL9014800 0.84 PTGIR (0.42) TBXAS1PTGIRPTGDRMRGPRX4
SCHEMBL9014468 0.84 TBXAS1 (0.45) TBXAS1PTGIRPTGDRHTTALDH1A1

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