SCHEMBL8958870

SCHEMBL8958870

CC(C)(C)c1cc(CC(CCOC(Cc2cc(-n3nc4ccc(Sc5ccccc5)cc4n3)c(O)c(C(C)(C)C)c2)C(=O)O)C(=O)O)cc(-n2nc3ccc(Sc4ccccc4)cc3n2)c1O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 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
SCHEMBL9595267 0.85 PTGES (0.31) PTGESALOX5PPARG
SCHEMBL15163389 0.81 PPARG (0.37) PTGESALOX5PPARG
SCHEMBL30772441 0.78 FOLH1 (0.39) PTGESALOX5PPARG
SCHEMBL672758 0.78 FOLH1 (0.39) PTGESALOX5PPARG
SCHEMBL8050940 0.78 MAOB (0.39)
SCHEMBL7155874 0.77 PPARG (0.38) PPARG
SCHEMBL8050554 0.77 MAOB (0.38)
SCHEMBL8050552 0.77 MAOB (0.38)
SCHEMBL4532741 0.76 PPARG (0.36) PTGESALOX5PPARG
SCHEMBL2387522 0.75 FOLH1 (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516914-A Compositions stabilized with 5-thio-substituted benzotriazole UV-absorbers CIBA-GEIGY CORPORATION (US) 1996-05-14 US disclosed