SCHEMBL6550458

SCHEMBL6550458

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

nearest known ligand 0.42

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 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MDM2 Q00987 1/20 0.36
LMNA P02545 4/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
GAA P10253 2/20 0.33
GBA1 P04062 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 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
SCHEMBL6549303 0.85 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6551313 0.84 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL6731089 0.83 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL6551090 0.82 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL6550573 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6551222 0.80 LMNA (0.39) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6551415 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL6550442 0.77 KMT2A (0.39) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL6549439 0.76 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL6727866 0.76 KMT2A (0.40) ALDH1A1MEN1KMT2ARAB9ALMNA

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