SCHEMBL29199666

SCHEMBL29199666

C[N+](C)(C)CCOS(=O)(=O)CS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.39
CHRM1 P11229 6/20 0.39
CHRM3 P20309 6/20 0.39
CHRM2 P08172 5/20 0.39
CHRM4 P08173 5/20 0.39
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRNA7 P36544 3/20 0.39
HTR1A P08908 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
PGR P06401 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
CYP2C19 P33261 2/20 0.38
LMNA P02545 2/20 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
SCHEMBL709226 0.79 CA1 (0.32)
SCHEMBL339065 0.78 CHRM5 (0.44) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL868979 0.76 CHRM5 (0.43) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL21076362 0.76 CA1 (0.46) BLMTSHRMAPK1
SCHEMBL28176595 0.76 CHRM5 (0.43) CHRM5CHRM1CHRM3CHRM2CHRM4
Water SCHEMBL27913290 0.76 CHRM5 (0.38) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL10417289 0.75 CA1 (0.40) LMNABLMTSHRMAPK1
SCHEMBL10417127 0.75 CA1 (0.46) LMNABLMTSHRMAPK1
SCHEMBL10418181 0.75 CA1 (0.46) LMNABLMTSHRMAPK1
SCHEMBL28031252 0.72 CHRM5 (0.42) CHRM5CHRM1CHRM3CHRM2CHRM4

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
CN-116322656-A Oral treatment of Prevotella denticola strain C as an inflammatory disease 伊夫罗生物科学公司 2023-06-23 CN disclosed