SCHEMBL6728640

SCHEMBL6728640

CC(C)C(=O)C[S+]1CCOCC1.CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2

nearest known ligand 0.51

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 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 3/20 0.46
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA5A P35218 6/20 0.42
CA5B Q9Y2D0 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL6550605 0.91 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KMT2AF2PRSS1
SCHEMBL6731522 0.90 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2AF2PRSS1
SCHEMBL6728399 0.90 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KMT2AF2PRSS1
SCHEMBL6549896 0.90 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KMT2AF2PRSS1
SCHEMBL6731653 0.89 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KMT2AF2PRSS1
SCHEMBL6727735 0.89 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KMT2AF2PRSS1
SCHEMBL6731251 0.89 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AF2PRSS1
SCHEMBL6728631 0.88 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KMT2AF2PRSS1
SCHEMBL6731633 0.87 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KMT2AF2PRSS1
SCHEMBL6735588 0.87 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KMT2AF2PRSS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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