SCHEMBL9014800

SCHEMBL9014800

O=C(O)COc1cccc2c1CCC/C2=C/CO/N=C(\Cc1cc[nH]c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.42
PTGDR Q13258 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.38
TBXAS1 P24557 1/20 0.36
ABCB1 P08183 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PPARD Q03181 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL9014807 1.00 PTGIR (0.42) PTGIRPTGDRMRGPRX4TBXAS1ABCB1
SCHEMBL9014609 0.84 TBXAS1 (0.47) PTGIRPTGDRMRGPRX4TBXAS1
SCHEMBL9014612 0.84 TBXAS1 (0.47) PTGIRPTGDRMRGPRX4TBXAS1
SCHEMBL9014179 0.84 TBXAS1 (0.49) PTGIRPTGDRMRGPRX4TBXAS1RXRA
SCHEMBL9014183 0.84 TBXAS1 (0.49) PTGIRPTGDRMRGPRX4TBXAS1RXRA
SCHEMBL9014465 0.83 PTGIR (0.42) PTGIRPTGDRMRGPRX4TBXAS1RXRA
SCHEMBL9014459 0.83 PTGIR (0.42) PTGIRPTGDRMRGPRX4TBXAS1RXRA
SCHEMBL9014798 0.81 PTGIR (0.57) PTGIRPTGDRMRGPRX4TBXAS1RXRA
SCHEMBL9014806 0.81 PTGIR (0.57) PTGIRPTGDRMRGPRX4TBXAS1RXRA
SCHEMBL9014460 0.80 PTGIR (0.69) PTGIRPTGDRMRGPRX4TBXAS1DDB1

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