SCHEMBL9974582

SCHEMBL9974582

O=C(O)COc1cccc2c1CCC=C2CCO/N=C(\C1=CCCC=C1)c1cccnc1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.67
PTGDR Q13258 1/20 0.67
TBXAS1 P24557 12/20 0.49
TBXA2R P21731 8/20 0.39
ALDH1A1 P00352 1/20 0.35
MAPT P10636 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
SCHEMBL3771846 0.89 PTGIR (0.84) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL32681969 0.89 PTGIR (0.84) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL4022778 0.89 PTGIR (0.84) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL3771841 0.89 PTGIR (0.84) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL9014475 0.82 PTGIR (0.70) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL9014484 0.82 PTGIR (0.70) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL9014255 0.82 PTGIR (0.89) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL9014259 0.82 PTGIR (0.89) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL9014532 0.82 PTGIR (0.68) PTGIRPTGDRTBXAS1TBXA2RALDH1A1
SCHEMBL16938456 0.82 PTGIR (0.70) PTGIRPTGDRTBXAS1TBXA2RALDH1A1

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-2465537-A1 Microspheres comprising ONO-1301 ONO Pharmaceutical Co., Ltd. (JP) 2012-06-20 EP disclosed