SCHEMBL10644192

SCHEMBL10644192

CCC[N+](C)(C)C.COC(=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.43
CHRM1 P11229 6/20 0.43
CHRM3 P20309 6/20 0.43
CHRM2 P08172 5/20 0.43
CHRM4 P08173 5/20 0.43
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
CHRNA7 P36544 3/20 0.43
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
APEX1 P27695 1/20 0.42
BBOX1 O75936 1/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
PGR P06401 1/20 0.38
TBXA2R P21731 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
Ammonia Solution, Strong SCHEMBL28799261 0.92 CHRM5 (0.38) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL8428495 0.86 DNM1 (0.46) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL31088019 0.86 BBOX1 (0.39) CHRM5CHRM1CHRM3CHRM2CHRM4
Bicarbonate SCHEMBL1896982 0.85 BBOX1 (0.43) CHRM5CHRM1CHRM3CHRM2CHRM4
Tetrapropylammonium SCHEMBL17438403 0.83 SLC22A1 (0.50) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL5157900 0.83 DNM1 (0.60) NFKB1SMN1; SMN2LMNAAPEX1ADRA1A
SCHEMBL17199725 0.83 DNM1 (0.60) NFKB1SMN1; SMN2LMNAAPEX1ADRA1A
SCHEMBL31164024 0.83 DNM1 (0.60) NFKB1SMN1; SMN2LMNAAPEX1ADRA1A
SCHEMBL9503300 0.83 DNM1 (0.60) NFKB1SMN1; SMN2LMNAAPEX1ADRA1A
SCHEMBL5161951 0.83 DNM1 (0.60) NFKB1SMN1; SMN2LMNAAPEX1ADRA1A

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
CN-115595137-A Acidic guanidine gum fracturing fluid and application thereof 中国石油化工股份有限公司(CN) 2023-01-13 CN disclosed
US-4776929-A Process for production of quaternary ammonium hydroxides MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1988-10-11 US disclosed
EP-0269949-A2 Process for producing a high purity quaternary ammonium hydroxide MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1988-06-08 EP disclosed