SCHEMBL6550409

SCHEMBL6550409

CC(C)(C)C(=O)C[S+]1CCSCC1.CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

CHRNA3CHRNB4

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 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
F2 P00734 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CA1 P00915 8/20 0.41
CA2 P00918 8/20 0.41
CA5A P35218 8/20 0.41
CA5B Q9Y2D0 8/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL6549727 0.91 ALDH1A1 (0.50) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL6550985 0.90 ALDH1A1 (0.49) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL6728631 0.89 ALDH1A1 (0.48) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL6727946 0.89 ALDH1A1 (0.48) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL6725995 0.89 F2 (0.49) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL6731653 0.88 SMN1; SMN2 (0.50) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL6727488 0.87 F2 (0.47) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL6730762 0.86 F2 (0.47) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL6727485 0.85 F2 (0.46) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL6723153 0.85 F2 (0.45) ALDH1A1F2PRSS1PRSS2PRSS3

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-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
EP-1167349-A1 Chemical amplifying type positive resist composition and sulfonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-02 EP disclosed