SCHEMBL9014484

SCHEMBL9014484

O=C(O)COc1cccc2c1CCC=C2CON=C(c1ccccc1)c1cccnc1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.70
PTGDR Q13258 1/20 0.70
TBXAS1 P24557 10/20 0.59
TBXA2R P21731 8/20 0.43
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9014475 1.00 PTGIR (0.70) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL3771846 0.92 PTGIR (0.84) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL3771841 0.92 PTGIR (0.84) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL4022778 0.92 PTGIR (0.84) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL32681969 0.92 PTGIR (0.84) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL9014155 0.92 PTGIR (0.74) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL9014152 0.92 PTGIR (0.74) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL9014196 0.88 PTGIR (0.56) PTGIRPTGDRTBXAS1ALDH1A1MAPT
SCHEMBL9014193 0.88 PTGIR (0.56) PTGIRPTGDRTBXAS1ALDH1A1MAPT
SCHEMBL9014516 0.86 PTGIR (0.56) PTGIRPTGDRTBXAS1ALDH1A1KMT2A

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 2 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