SCHEMBL9129205

SCHEMBL9129205

CCOC(=O)COc1cccc2c1CCC(CCNOC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.59
TBXAS1 P24557 2/20 0.47

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
SCHEMBL9005607 0.89 PTGIR (0.74) PTGIRTBXAS1
SCHEMBL9005622 0.84 PTGIR (0.64) PTGIRTBXAS1
SCHEMBL8487292 0.81 PTGIR (0.53) PTGIR
SCHEMBL9005703 0.80 PTGIR (0.82) PTGIRTBXAS1
SCHEMBL9005710 0.80 PTGIR (0.82) PTGIRTBXAS1
SCHEMBL9005652 0.79 PTGIR (0.52) PTGIR
SCHEMBL7778511 0.79 CA1 (0.53) PTGIRTBXAS1
SCHEMBL9618472 0.78 PTGIR (0.62) PTGIRTBXAS1
SCHEMBL9005727 0.77 PTGIR (0.50) PTGIRTBXAS1
SCHEMBL9005649 0.77 PTGIR (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5461045-A Treating thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer and hypertension ONO PHARMACEUTICAL CO., LTD. (JP) 1995-10-24 US disclosed