SCHEMBL6550776

SCHEMBL6550776

CC(=O)C[S+]1CCCCC1.CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2

nearest known ligand 0.49

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 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
F2 P00734 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA5A P35218 6/20 0.45
CA5B Q9Y2D0 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL6551413 0.99 KMT2A (0.50) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL6734662 0.90 KMT2A (0.48) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL6551184 0.89 KMT2A (0.47) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL6549896 0.89 ALDH1A1 (0.50) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL6728399 0.89 SMN1; SMN2 (0.53) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL6725995 0.89 F2 (0.49) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL6551137 0.89 KDM4E (0.47) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL6550170 0.89 KDM4E (0.47) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL6550985 0.89 ALDH1A1 (0.49) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL6550385 0.89 KDM4E (0.47) KMT2AF2PRSS1PRSS2PRSS3

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