SCHEMBL9014193

SCHEMBL9014193

O=C(O)COc1cccc2c1CCC=C2CO/N=C(/Cc1ccccc1)c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.56
PTGDR Q13258 1/20 0.56
TBXAS1 P24557 3/20 0.46
MRGPRX4 Q96LA9 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 3/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9014196 1.00 PTGIR (0.56) PTGIRPTGDRTBXAS1MRGPRX4ALDH1A1
SCHEMBL9014516 0.95 PTGIR (0.56) PTGIRPTGDRTBXAS1MRGPRX4ALDH1A1
SCHEMBL9014523 0.95 PTGIR (0.56) PTGIRPTGDRTBXAS1MRGPRX4ALDH1A1
SCHEMBL9014532 0.93 PTGIR (0.68) PTGIRPTGDRTBXAS1MRGPRX4ALDH1A1
SCHEMBL9014528 0.93 PTGIR (0.68) PTGIRPTGDRTBXAS1MRGPRX4ALDH1A1
SCHEMBL9014475 0.88 PTGIR (0.70) PTGIRPTGDRTBXAS1ALDH1A1KMT2A
SCHEMBL9014484 0.88 PTGIR (0.70) PTGIRPTGDRTBXAS1ALDH1A1KMT2A
SCHEMBL9014597 0.88 PTGIR (0.68) PTGIRPTGDRTBXAS1MRGPRX4ALDH1A1
SCHEMBL9014590 0.88 PTGIR (0.68) PTGIRPTGDRTBXAS1MRGPRX4ALDH1A1
SCHEMBL9014314 0.86 PTGIR (0.52) PTGIRPTGDRTBXAS1MRGPRX4ALDH1A1

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