SCHEMBL6550658

SCHEMBL6550658

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.38
CES2 O00748 5/20 0.38
EPHX2 P34913 1/20 0.35
CA1 P00915 1/20 0.34
BBOX1 O75936 2/20 0.33
HAO1 Q9UJM8 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 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

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
SCHEMBL6549356 0.95 CES2 (0.39) CES1CES2EPHX2HAO1MAPT
SCHEMBL6549340 0.94 CES2 (0.41) CES1CES2EPHX2HAO1MAPT
SCHEMBL6550939 0.93 EPHX2 (0.35) CES1CES2EPHX2CA1BBOX1
SCHEMBL6551081 0.89 CES1 (0.36) CES1CES2EPHX2CA1BBOX1
SCHEMBL6551277 0.88 EPHX2 (0.36) CES1CES2EPHX2BBOX1ALDH1A1
SCHEMBL6549443 0.85 CES1 (0.39) CES1CES2EPHX2CA1BBOX1
SCHEMBL6551338 0.84 CES2 (0.38) CES1CES2EPHX2HAO1MAPT
SCHEMBL6728312 0.84 CES1 (0.46) CES1CES2CA1HAO1MAPT
SCHEMBL6549430 0.83 EPHX2 (0.37) CES1CES2EPHX2BBOX1MAPT
SCHEMBL6549395 0.83 CES2 (0.40) CES1CES2EPHX2HAO1MAPT

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