SCHEMBL11032328

SCHEMBL11032328

CCOC(=O)C=CCCCCCc1cccc2cncn12

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.72
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
PTGIS Q16647 1/20 0.57

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
SCHEMBL11032327 1.00 TBXAS1 (0.72) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL11029832 0.97 TBXAS1 (0.71) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL11029834 0.97 TBXAS1 (0.71) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL10842255 0.93 TBXAS1 (0.66) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL10842251 0.93 TBXAS1 (0.66) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL11034757 0.91 TBXAS1 (0.62) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL11102249 0.91 TBXAS1 (0.62) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL10977625 0.84 TBXAS1 (1.00) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL10977630 0.84 TBXAS1 (1.00) TBXAS1PTGS1PTGS2PTGIS
SCHEMBL10648637 0.81 TBXAS1 (1.00) TBXAS1PTGS1PTGS2PTGIS

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-0068386-B1 SUBSTITUTED IMIDAZO(1,5-A)PYRIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS CIBA-GEIGY AG (CH) 1985-12-18 EP disclosed
US-4444775-A ENZYME INHIBITORS CIBA-GEIGY CORPORATION (US) 1984-04-24 US disclosed