SCHEMBL8858680

SCHEMBL8858680

C=C(C(=O)NN(c1ccccc1)c1ccccc1)C1CCCc2c(OCC(=O)O)cccc21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.67
PTGDR2 Q9Y5Y4 1/20 0.44
TBXAS1 P24557 1/20 0.43
LIPG Q9Y5X9 1/20 0.39
PTGER1 P34995 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGDR Q13258 1/20 0.38

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
SCHEMBL8858455 0.94 PTGIR (0.61) PTGIRPTGDR2TBXAS1PTGER1PTGER3
SCHEMBL9046416 0.89 PTGIR (0.70) PTGIRPTGDR2TBXAS1
SCHEMBL8858467 0.84 PTGIR (0.53) PTGIRPTGDR2TBXAS1LIPG
SCHEMBL9427087 0.82 PTGIR (0.81) PTGIRPTGDR2TBXAS1
SCHEMBL9047848 0.81 PTGIR (0.43) PTGIR
SCHEMBL8858692 0.80 PTGIR (0.65) PTGIRPTGDR2TBXAS1LIPGPTGER1
SCHEMBL8858688 0.80 PTGIR (0.65) PTGIRPTGDR2TBXAS1LIPGPTGER1
SCHEMBL9048557 0.80 PTGIR (1.00) PTGIRPTGDR2TBXAS1
SCHEMBL7777393 0.79 PTGIR (0.74) PTGIRPTGDR2TBXAS1PTGER1PTGER3
SCHEMBL8858726 0.79 PTGIR (0.56) PTGIRPTGDR2TBXAS1

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
US-5596009-A TREATMENT OF THROMBOSIS, ATHERIOSCLEROSIS, ANTIISCHEMIC AGENTS, ANTIULCER AGENTS OR HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-01-21 US disclosed