SCHEMBL6550401

SCHEMBL6550401

CC(C)(C)C(=O)C[S+]1CCCCC1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 1/20 0.38
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSD11B1 P28845 1/20 0.34
HPGD P15428 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.33

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
SCHEMBL6548789 0.99 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL6728341 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL6728423 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL6729155 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL6550447 0.86 ALDH1A1 (0.41) ALDH1A1KMT2AHSD17B10KDM4ETP53
SCHEMBL6549604 0.85 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL6550482 0.84 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL6551018 0.83 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL6551068 0.82 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL6549646 0.81 CYP3A4 (0.39) ALDH1A1MEN1KMT2AHSD17B10LMNA

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
EP-1167349-B1 Chemical amplifying type positive resist composition SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed
US-6548220-B2 Containing acid generator SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-15 US disclosed
US-20020015913-A1 Chemical amplifying type positive resist composition and sulfonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-07 US disclosed
EP-1167349-A1 Chemical amplifying type positive resist composition and sulfonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-02 EP disclosed