SCHEMBL9765942

SCHEMBL9765942

COc1ccc(OC(C)(C)C2OCC(C/C=C\CCC(=O)O)C(c3cccnc3)O2)c(C#N)c1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.84
PTGIS Q16647 15/20 0.84

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
SCHEMBL3518900 0.92 TBXAS1 (1.00) TBXAS1PTGIS
SCHEMBL9035683 0.92 TBXAS1 (1.00) TBXAS1PTGIS
SCHEMBL3518907 0.92 TBXAS1 (1.00) TBXAS1PTGIS
SCHEMBL9765876 0.88 TBXAS1 (1.00) TBXAS1PTGIS
SCHEMBL9765944 0.88 TBXAS1 (1.00) TBXAS1PTGIS
SCHEMBL9765884 0.85 TBXAS1 (1.00) TBXAS1PTGIS
SCHEMBL9161390 0.84 TBXAS1 (1.00) TBXAS1PTGIS
SCHEMBL9765871 0.82 TBXAS1 (1.00) TBXAS1PTGIS
SCHEMBL9765888 0.82 TBXAS1 (1.00) TBXAS1PTGIS
SCHEMBL9163044 0.82 TBXAS1 (1.00) TBXAS1PTGIS

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-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed