SCHEMBL8410752

SCHEMBL8410752

O=C(O)COc1cccc2c1CCC(Cc1coc(Cc3ccccc3-c3cccnc3)n1)C2

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.48
PTGIR P43119 18/20 0.48
PTGDR Q13258 7/20 0.48

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
SCHEMBL8410744 0.80 TBXAS1 (0.58) TBXAS1PTGIRPTGDR
SCHEMBL8412819 0.79 PTGIR (0.47) TBXAS1PTGIRPTGDR
SCHEMBL8413479 0.78 TBXAS1 (0.37) TBXAS1PTGIR
SCHEMBL8413362 0.78 PTGIR (0.62) PTGIRPTGDR
SCHEMBL8413612 0.75 PTGIR (0.59) TBXAS1PTGIRPTGDR
SCHEMBL8412795 0.74 TBXAS1 (0.44) TBXAS1PTGIRPTGDR
SCHEMBL8580253 0.74 ADORA2A (0.32)
SCHEMBL8412758 0.72 PTGIR (0.63) TBXAS1PTGIRPTGDR
SCHEMBL8808707 0.72 PTGIR (0.46) TBXAS1PTGIRPTGDR
SCHEMBL8410748 0.69 TBXAS1 (0.49) TBXAS1PTGIRPTGDR

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 5 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 claimed
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP claimed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP claimed
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