SCHEMBL5378739

SCHEMBL5378739

CC(C)c1cc(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c1[N+](=O)[O-].Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.36
NPY1R P25929 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 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
SCHEMBL5862006 0.89 HPRT1 (0.37) HPRT1CYP3A4MAPTTSHRTDP1
Silver SCHEMBL5376950 0.81 FABP3 (0.34) NPY1RMEN1TP53CYP3A4MAPT
SCHEMBL5549805 0.79 FABP4 (0.42) MAPTTDP1
SCHEMBL5378749 0.76 HPRT1 (0.36) HPRT1NPY1RMEN1TP53CYP3A4
SCHEMBL5549111 0.73 FABP4 (0.46) TDP1
SCHEMBL2958639 0.73 ALDH1A1 (0.32) CYP3A4MAPTSMN1; SMN2TDP1
SCHEMBL383991 0.72 FABP4 (0.47) TDP1
SCHEMBL5404846 0.71 ACHE (0.42) HPRT1MEN1CYP3A4TSHRKMT2A
SCHEMBL5388305 0.70 FABP3 (0.49) NPY1RMEN1TP53CYP3A4MAPT
SCHEMBL178363 0.70 FABP3 (0.49) NPY1RMEN1TP53CYP3A4MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220532-B2 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 US disclosed
US-7135268-B2 Using aromatic sulfonate compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-14 US disclosed
US-20050031984-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED 2005-02-10 US disclosed
US-20040053171-A1 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED 2004-03-18 US disclosed
US-20040029037-A1 Amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-02-12 US disclosed