SCHEMBL28545926

SCHEMBL28545926

C[N+](C)(C)CCOC(C(=O)O)C(O)C(=O)O.[H+]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.39
CHRM3 P20309 8/20 0.39
CHRM2 P08172 7/20 0.39
CHRM4 P08173 7/20 0.39
CHRM5 P08912 6/20 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
SCHEMBL4258142 0.98 CHRM1 (0.41) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL18553849 0.80 CHRM1 (0.45) CHRM1CHRM3CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL28975655 0.79 CHRM1 (0.47) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL28101475 0.74 TSHR (0.39) LMNABLMTSHRPGD
SCHEMBL234927 0.74 TSHR (0.39) TSHRPGD
SCHEMBL9558576 0.74 TSHR (0.39) TSHRPGD
Cadaverine Tartrate SCHEMBL29223946 0.73 CHRM1 (0.42) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL2979038 0.73 ATM (0.41) TSHRMAPK1PGD
SCHEMBL188003 0.73 CHRM1 (0.52) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL30378623 0.73 CHRM1 (0.52) CHRM1CHRM3CHRM2CHRM4CHRM5

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-112655969-A Choline bitartrate granules, tablets containing same and preparation method 江苏艾兰得营养品有限公司 2021-04-16 CN disclosed