SCHEMBL7866635

SCHEMBL7866635

CCCOC(=O)OC1CC[S+](c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 3/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
MLNR O43193 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
CYP2C19 P33261 1/20 0.33
ALOX5 P09917 1/20 0.33

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
Trifluoromethanesulfonic Acid SCHEMBL6562640 0.89 MLNR (0.33) LMNAALDH1A1GAASMN1; SMN2CHRM2
Trifluoromethanesulfonic Acid SCHEMBL6564000 0.83 POLB (0.34) ALDH1A1CHRM2CHRM1CHRM3KCNH2
Trifluoromethanesulfonic Acid SCHEMBL6564531 0.79 KMT2A (0.33) ALDH1A1SMN1; SMN2CYP2C19NPSR1
Trifluoromethanesulfonic Acid SCHEMBL3367466 0.73 ALDH1A1 (0.32) ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL6564518 0.72 RORC (0.33) CYP2C19
Trifluoromethanesulfonic Acid SCHEMBL6564008 0.72 KCNH2 (0.33) CHRM2CHRM1CHRM3MLNRHTR2A
SCHEMBL3362985 0.71 CNR1 (0.33) ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL6562721 0.71 STS (0.30)
SCHEMBL6566380 0.71 ALDH1A1 (0.45) ALDH1A1
SCHEMBL8693535 0.70 PPM1B (0.40) LMNAALDH1A1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6322949-B2 SULFONIUM COMPOUND AS PHOTOACID GENERATOR JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 2001-11-27 US disclosed