SCHEMBL9765867

SCHEMBL9765867

O=C(O)CC/C=C\CC1COC(C(F)(F)C(F)(F)F)OC1c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.72
PTGIS Q16647 10/20 0.72

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
SCHEMBL9765850 0.89 TBXAS1 (0.62) TBXAS1PTGIS
SCHEMBL9035951 0.89 TBXAS1 (0.72) TBXAS1PTGIS
SCHEMBL9161927 0.84 TBXAS1 (1.00) TBXAS1PTGIS
SCHEMBL9162585 0.83 TBXAS1 (0.79) TBXAS1PTGIS
SCHEMBL9765859 0.83 TBXAS1 (1.00) TBXAS1PTGIS
SCHEMBL9161390 0.83 TBXAS1 (1.00) TBXAS1PTGIS
SCHEMBL9765882 0.82 TBXAS1 (0.88) TBXAS1PTGIS
SCHEMBL9723983 0.82 TBXAS1 (0.84) TBXAS1PTGIS
SCHEMBL9158163 0.81 TBXAS1 (0.64) TBXAS1PTGIS
SCHEMBL10471085 0.81 TBXAS1 (0.94) 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