SCHEMBL8413469

SCHEMBL8413469

COC(=O)COc1cccc2c1CCC(Cn1cc(C(c3ccccc3)c3ccccc3)cn1)C2

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 19/20 0.84
PTGDR Q13258 3/20 0.50
TBXAS1 P24557 1/20 0.46

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
SCHEMBL8410741 0.91 PTGIR (1.00) PTGIRPTGDR
SCHEMBL8410969 0.90 PTGIR (0.86) PTGIRPTGDR
SCHEMBL8410438 0.87 PTGIR (0.74) PTGIRPTGDRTBXAS1
SCHEMBL8413473 0.87 PTGIR (0.76) PTGIRPTGDRTBXAS1
SCHEMBL8411408 0.86 PTGIR (0.62) PTGIRPTGDR
SCHEMBL8410742 0.86 PTGIR (0.77) PTGIRPTGDRTBXAS1
SCHEMBL8413356 0.86 PTGIR (0.89) PTGIRPTGDRTBXAS1
SCHEMBL8410973 0.85 PTGIR (0.73) PTGIRPTGDRTBXAS1
SCHEMBL8519032 0.85 PTGIR (0.87) PTGIRPTGDR
SCHEMBL8414284 0.85 PTGIR (0.87) PTGIRPTGDR

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
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5849919-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor anonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed