SCHEMBL8810098

SCHEMBL8810098

O=C(O)COc1cccc2c1CCC(C=CCn1ncc(C(c3ccccc3)c3ccccc3)n1)C2

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 19/20 0.58
PTGDR Q13258 3/20 0.47
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
SCHEMBL8414337 0.86 PTGIR (0.75) PTGIRPTGDR
SCHEMBL8808701 0.81 PTGIR (0.65) PTGIRPTGDRTBXAS1
SCHEMBL8810877 0.81 PTGIR (0.65) PTGIRPTGDRTBXAS1
SCHEMBL8814193 0.80 PTGIR (0.64) PTGIRPTGDR
SCHEMBL8814201 0.80 PTGIR (0.64) PTGIRPTGDR
SCHEMBL8812792 0.80 PTGIR (0.64) PTGIRPTGDR
SCHEMBL8809163 0.79 PTGIR (0.52) PTGIRPTGDRTBXAS1
SCHEMBL8811110 0.79 PTGIR (0.52) PTGIRPTGDRTBXAS1
SCHEMBL8815160 0.78 PTGIR (0.52) PTGIRTBXAS1
SCHEMBL8815165 0.78 PTGIR (0.52) PTGIRTBXAS1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP disclosed
US-5589496-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor agonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1996-12-31 US disclosed
US-5389666-A Administering for treatment and prevention of thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer or hypertension ONO PHARMACEUTICAL CO., LTD. (JP) 1995-02-14 US disclosed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed