SCHEMBL9401540

SCHEMBL9401540

CCc1cccc(CC)c1CC(C=O)Sc1nc(OC)cc(OC)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.33
ALOX5 P09917 2/20 0.33
PPARG P37231 1/20 0.33
KCNH2 Q12809 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31

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
SCHEMBL9401344 0.86 CTSA (0.34) PTGESALOX5PPARG
SCHEMBL9401516 0.85 NPSR1 (0.36)
SCHEMBL9401493 0.82 CTSA (0.36) PTGESALOX5PPARG
SCHEMBL9384583 0.81 PTGES (0.42) PTGESALOX5PPARG
SCHEMBL9383531 0.80 ALDH1A1 (0.37) PTGESALOX5PPARG
SCHEMBL9388882 0.77 ADORA3 (0.37) PTGESALOX5PPARG
SCHEMBL9401327 0.77 ALOX5 (0.43) ALOX5
SCHEMBL9401522 0.76 EDNRB (0.36) ALOX5
SCHEMBL9401253 0.76 ALOX5 (0.46) PTGESALOX5PPARG
SCHEMBL9401267 0.75 ALOX5 (0.43) PTGESALOX5PPARG

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
US-5346880-A Pre- and postemergence NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US disclosed
EP-0565951-A1 Herbicidally active pyrimidinylthioalkane derivatives NIHON BAYER AGROCHEM K.K. (JP) 1993-10-20 EP disclosed