SCHEMBL8410896

SCHEMBL8410896

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 17/20 1.00
TBXAS1 P24557 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR Q13258 1/20 0.35

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
SCHEMBL8411186 0.94 PTGIR (0.88) PTGIRTBXAS1
SCHEMBL8811711 0.93 PTGIR (0.86) PTGIRPTGDR2ALDH1A1SMN1; SMN2PTGDR
SCHEMBL8410899 0.86 PTGIR (0.76) PTGIRALDH1A1SMN1; SMN2
SCHEMBL8414250 0.85 PTGIR (0.73) PTGIRTBXAS1PTGDR2
SCHEMBL8809952 0.84 PTGIR (0.72) PTGIRTBXAS1ALDH1A1
SCHEMBL7777538 0.82 PTGIR (0.69) PTGIRPTGDR2
SCHEMBL8411189 0.81 PTGIR (0.68) PTGIRTBXAS1
SCHEMBL8812368 0.80 PTGIR (0.67) PTGIRALDH1A1
SCHEMBL7778750 0.79 PTGIR (0.65) PTGIRPTGDR2PTGDR
SCHEMBL7772459 0.77 PTGIR (0.62) PTGIRTBXAS1PTGDR2

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 7 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
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
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