SCHEMBL6549443

SCHEMBL6549443

CCCCC(=O)C[S+](C)C.CCCCS(=O)(=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.39
CES2 O00748 5/20 0.39
EPHX2 P34913 1/20 0.36
CA1 P00915 1/20 0.35
BBOX1 O75936 2/20 0.34
HAO1 Q9UJM8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.31
GMNN O75496 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
THPO P40225 1/20 0.31
HBB P68871 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6551502 0.95 CES2 (0.41) CES1CES2EPHX2HAO1ALDH1A1
SCHEMBL6549243 0.93 CES2 (0.42) CES1CES2EPHX2HAO1ALDH1A1
SCHEMBL6548835 0.93 EPHX2 (0.36) CES1CES2EPHX2CA1BBOX1
SCHEMBL6550608 0.88 EPHX2 (0.37) CES1CES2EPHX2BBOX1ALDH1A1
SCHEMBL6550658 0.85 CES1 (0.38) CES1CES2EPHX2CA1BBOX1
SCHEMBL6549512 0.84 CES1 (0.34) CES1CES2EPHX2CA1BBOX1
SCHEMBL6551081 0.83 CES1 (0.36) CES1CES2EPHX2CA1BBOX1
SCHEMBL6723137 0.83 CES1 (0.48) CES1CES2CA1HAO1ALDH1A1
SCHEMBL6548654 0.82 EPHX2 (0.38) CES1CES2EPHX2BBOX1ALDH1A1
SCHEMBL6551149 0.82 CES1 (0.35) CES1CES2EPHX2CA1BBOX1

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-1167349-B1 Chemical amplifying type positive resist composition SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP 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