SCHEMBL28070347

SCHEMBL28070347

C=C(CC[N+](C)(C)C)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
MAPT P10636 2/20 0.41
BLM P54132 1/20 0.41
CHRM5 P08912 6/20 0.38
CHRM1 P11229 6/20 0.38
CHRM3 P20309 6/20 0.38
CHRM2 P08172 5/20 0.38
CHRM4 P08173 5/20 0.38
CHRNB2 P17787 4/20 0.38
CHRNA4 P43681 4/20 0.38
CHRNA7 P36544 3/20 0.38
HTR1A P08908 2/20 0.38
PGR P06401 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL14533248 0.83 ALDH1A1 (0.52) ALDH1A1TSHRMAPTSMN1; SMN2CYP2C19
SCHEMBL6513135 0.79 ALDH1A1 (0.45) ALDH1A1TSHRMAPTSMN1; SMN2CYP2C19
SCHEMBL23119151 0.79 GLO1 (0.47) ALDH1A1TSHRMAPTSMN1; SMN2CYP2C19
SCHEMBL27586870 0.79 ALDH1A1 (0.41) ALDH1A1TSHRADRA2AADRA1AMAPT
SCHEMBL7983922 0.79 ALDH1A1 (0.48) ALDH1A1TSHRMAPTLMNAGAA
SCHEMBL375086 0.79 ALDH1A1 (0.48) ALDH1A1TSHRMAPTLMNAGAA
Hydrochloric Acid SCHEMBL27994202 0.78 TSHR (0.39) TSHRADRA2AADRA1AMAPTBLM
Hydrochloric Acid SCHEMBL28859387 0.78 ALDH1A1 (0.44) ALDH1A1TSHRMAPTBLMCHRM5
SCHEMBL2484512 0.77 ALDH1A1 (0.47) ALDH1A1TSHRMAPTSMN1; SMN2CYP2C19
SCHEMBL6023253 0.75 ALDH1A1 (0.45) ALDH1A1TSHRMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641983-A inverse emulsion composition 凯米罗总公司 2019-04-16 CN disclosed
CN-109562070-A Compositions and methods for selective gastrointestinal delivery 生命饮料全球公司 2019-04-02 CN disclosed
CN-109312612-A Liquid polymer composition 凯米罗总公司 2019-02-05 CN disclosed
CN-106890108-A Cosmetic composition and its application method comprising organo-silicon compound, anionic surfactant and nonionic thickener 欧莱雅 2017-06-27 CN disclosed
CN-105748318-A Cosmetic composition containing organic silicon compound, amphoteric surface-active agent and at least two anionic surface-active agents 欧莱雅 2016-07-13 CN disclosed
CN-105636575-A Performance-enhanced hair treatment composition HENKEL AG & CO KGAA 2016-06-01 CN disclosed