SCHEMBL8050303

SCHEMBL8050303

CCCCCCCCOC(=O)C(C)c1cc(-n2nc3ccc(S(=O)(=O)c4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.33
ABCB1 P08183 4/20 0.33
ABCC1 P33527 3/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
HTT P42858 1/20 0.32
CACNA1A O00555 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNB1 Q02641 1/20 0.32

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
SCHEMBL3858691 0.88 ALDH1A1 (0.36) HTT
SCHEMBL29930396 0.88 ALDH1A1 (0.36) HTT
SCHEMBL30963009 0.88 ALDH1A1 (0.36) HTT
SCHEMBL30963008 0.88 ALDH1A1 (0.36) HTT
SCHEMBL27481166 0.87 SMN1; SMN2 (0.34) PTGS2CHRM2CHRM1CACNA1ACACNA2D1
SCHEMBL29603281 0.84 PSEN1 (0.38)
SCHEMBL135175 0.84 PSEN1 (0.38)
SCHEMBL5834156 0.84 CNR2 (0.37) PTGS2ABCB1ABCC1
SCHEMBL21586964 0.81 PTGS2 (0.37) PTGS2ABCB1ABCC1HTT
SCHEMBL8050308 0.79 PTGS2 (0.33) PTGS2ABCB1ABCC1

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 4 patents. 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
CN-100341859-C Organic solvent-free preparation method of 2- (2-nitrophenylazo) phenols CIBA SC HOLDING AG (CH) 2007-10-10 CN disclosed
CN-1599777-A Organic solvent-free process for the preparation of 2-(2-nitrophenylazo)phenols CIBA SC HOLDING AG (CH) 2005-03-23 CN disclosed
CN-1444568-A Processes for preparation of benzotriazole UV absorbers CIBA SC HOLDING AG (CH) 2003-09-24 CN disclosed