SCHEMBL9005686

SCHEMBL9005686

O=C(O)COc1cccc2c1CCCC2C/C=N\OC(c1ccccc1)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.84
TBXAS1 P24557 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL9005777 1.00 PTGIR (0.84) PTGIRTBXAS1PTGDR2
SCHEMBL9005755 0.94 PTGIR (0.74) PTGIRTBXAS1
SCHEMBL9005645 0.94 PTGIR (0.74) PTGIRTBXAS1
SCHEMBL9005725 0.82 PTGIR (0.57) PTGIR
SCHEMBL9005722 0.82 PTGIR (0.57) PTGIR
SCHEMBL9005583 0.81 PTGIR (0.89) PTGIRTBXAS1PTGDR2
SCHEMBL9005666 0.79 PTGIR (1.00) PTGIRTBXAS1
SCHEMBL9005672 0.79 PTGIR (1.00) PTGIRTBXAS1
SCHEMBL9047729 0.78 PTGIR (0.66) PTGIRTBXAS1PTGDR2
SCHEMBL9050868 0.77 PTGIR (0.64) 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 2 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