SCHEMBL6723153

SCHEMBL6723153

CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.O=C(C[S+]1CCSCC1)C1CCCCC1

nearest known ligand 0.45

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
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
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 7/20 0.40
CA2 P00918 7/20 0.40
CA5A P35218 7/20 0.40
CA5B Q9Y2D0 7/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.38
PKM P14618 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
SCHEMBL6727485 0.99 F2 (0.46) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL6550170 0.92 KDM4E (0.47) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL6551137 0.92 KDM4E (0.47) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL6550385 0.92 KDM4E (0.47) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL6551055 0.91 KDM4E (0.47) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL6730943 0.90 KDM4E (0.45) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL6726114 0.89 SMN1; SMN2 (0.48) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL6723699 0.89 KDM4E (0.45) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL6731584 0.88 SMN1; SMN2 (0.49) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL6725995 0.87 F2 (0.49) F2PRSS1PRSS2PRSS3KDM4E

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