SCHEMBL6550447

SCHEMBL6550447

CC(=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 5/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
ACHE P22303 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6550482 0.98 ALDH1A1 (0.39) ALDH1A1HSD17B10KMT2AGAACYP3A4
SCHEMBL6549604 0.87 ALDH1A1 (0.39) ALDH1A1HSD17B10KMT2AGAACYP3A4
SCHEMBL6551068 0.87 ALDH1A1 (0.39) ALDH1A1HSD17B10KMT2AGAACYP3A4
SCHEMBL6550401 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10KMT2AGAACYP3A4
SCHEMBL6549646 0.85 CYP3A4 (0.39) ALDH1A1HSD17B10KMT2AGAACYP3A4
SCHEMBL6725801 0.85 ALDH1A1 (0.36) ALDH1A1HSD17B10KMT2AGAACYP3A4
SCHEMBL6734161 0.85 LMNA (0.38) ALDH1A1HSD17B10GAACYP3A4KDM4E
SCHEMBL6733943 0.85 L3MBTL1 (0.41) ALDH1A1HSD17B10KMT2AGAACYP3A4
SCHEMBL6551018 0.85 ALDH1A1 (0.40) ALDH1A1HSD17B10KMT2AGAACYP3A4
SCHEMBL6551056 0.85 ALDH1A1 (0.37) ALDH1A1HSD17B10KMT2AGAACYP3A4

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