SCHEMBL21858232

SCHEMBL21858232

CCO[Si](CCC[n+]1ccccc1)(OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.48
CHRM2 P08172 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
CHRM1 P11229 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
ABCB11 O95342 1/20 0.48
ESR1 P03372 1/20 0.48
PGR P06401 1/20 0.48
HTR1A P08908 1/20 0.48
DRD1 P21728 1/20 0.48
TBXA2R P21731 1/20 0.48
PTGS1 P23219 1/20 0.48
PDE4A P27815 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL1974157 0.89 ACHE (0.40) ACHECHRM2ADRA2AADORA3CHRM1
Fumaric Acid SCHEMBL1968759 0.85 ACHE (0.37) ACHECHRM2ADRA2AADORA3CHRM1
Fumaric Acid SCHEMBL1968762 0.85 ACHE (0.37) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL10332332 0.80 BCHE (0.50) ACHEBCHE
SCHEMBL13197531 0.79 CHRNA7 (0.35) ACHEKMT2ASMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL1973961 0.78 MEN1 (0.48) ACHERAD52KMT2ASMN1; SMN2MEN1
SCHEMBL13197528 0.78 CHKA (0.56) SMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL8959972 0.76 CHKA (0.54) SMN1; SMN2LMNAHTT
SCHEMBL18022505 0.75 ACHE (0.35) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL2218244 0.74

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
WO-2020080922-A1 DEVICE FOR SEPARATING IMMISCIBLE LIQUIDS USING A TEXTILE MEMBRANE FUNCTIONALISED BY IONIC LIQUIDS ECOLE SUPÉRIEURE DES INDUSTRIES DU TEXTILE ET DE L'HABILLEMENT (MA) 2020-04-23 WO disclosed