SCHEMBL8050308

SCHEMBL8050308

CCCCCCCCOC(C=O)Cc1cc(-n2nc3ccc(S(=O)(=O)c4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.33
ABCB1 P08183 4/20 0.31
ABCC1 P33527 3/20 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
SCHEMBL194402 0.89 HMGCR (0.33)
SCHEMBL1695375 0.85 HMGCR (0.31)
SCHEMBL5834156 0.82 CNR2 (0.37) PTGS2ABCB1ABCC1
SCHEMBL27963576 0.81 CNR2 (0.33)
SCHEMBL8050858 0.79 CTRC (0.34) PTGS2
SCHEMBL8050303 0.79 PTGS2 (0.33) PTGS2ABCB1ABCC1
SCHEMBL21586964 0.79 PTGS2 (0.37) PTGS2ABCB1ABCC1
SCHEMBL9595267 0.77 PTGES (0.31)
SCHEMBL5834070 0.77 CNR2 (0.35) PTGS2
SCHEMBL295015 0.76 CA2 (0.34)

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
EP-0572554-B1 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLE UV-ABSORBERS AND STABILIZED COMPOSITIONS CIBA SC HOLDING AG (CH) 2000-05-10 EP claimed