SCHEMBL9005583

SCHEMBL9005583

O=C(O)COc1cccc2c1CCCC2CCOC(c1ccccc1)c1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.89
TBXAS1 P24557 1/20 0.59
PTGDR2 Q9Y5Y4 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
SCHEMBL9005581 0.88 PTGIR (0.70) PTGIRTBXAS1
SCHEMBL9051699 0.83 PTGIR (0.69) PTGIRTBXAS1PTGDR2
SCHEMBL9155513 0.83 PTGIR (0.69) PTGIRTBXAS1PTGDR2
SCHEMBL9155480 0.82 PTGIR (0.68) PTGIRTBXAS1PTGDR2
SCHEMBL8858587 0.81 PTGIR (0.72) PTGIRTBXAS1PTGDR2
SCHEMBL9047729 0.81 PTGIR (0.66) PTGIRTBXAS1PTGDR2
SCHEMBL9048590 0.81 PTGIR (0.71) PTGIRTBXAS1PTGDR2
SCHEMBL9005686 0.81 PTGIR (0.84) PTGIRTBXAS1PTGDR2
SCHEMBL9048216 0.81 PTGIR (0.71) PTGIRTBXAS1PTGDR2
SCHEMBL9005777 0.81 PTGIR (0.84) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0578847-B1 Fused benzeneoxyacetic acid derivatives and their use as PG12 antagonists ONO PHARMACEUTICAL CO (JP) 1996-10-09 EP claimed
EP-0578847-A1 Fused benzeneoxyacetic acid derivatives and their use as PG12 antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP claimed
EP-0578847-B1 Fused benzeneoxyacetic acid derivatives and their use as PG12 antagonists ONO PHARMACEUTICAL CO (JP) 1996-10-09 EP disclosed
US-5461045-A Treating thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer and hypertension ONO PHARMACEUTICAL CO., LTD. (JP) 1995-10-24 US disclosed
EP-0578847-A1 Fused benzeneoxyacetic acid derivatives and their use as PG12 antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP disclosed