SCHEMBL5607644

SCHEMBL5607644

C=C(C)C(=O)OCC[N+](C)(C)C.CS(=O)(=O)O

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 6/20 0.55
HTR1A known ✓ P08908 2/20 0.52
CHRNA10 known ✓ Q9GZZ6 1/20 0.52
CHRNA9 known ✓ Q9UGM1 1/20 0.52
ADRA2A known ✓ P08913 1/20 0.47
ADRA1A known ✓ P35348 1/20 0.47
CHRM5 P08912 6/20 0.55
CHRM3 P20309 6/20 0.55
CHRM2 P08172 5/20 0.52
CHRM4 P08173 5/20 0.52
CHRNB2 P17787 4/20 0.52
CHRNA4 P43681 4/20 0.52
CHRNA7 P36544 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PGR P06401 1/20 0.52
TBXA2R P21731 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
GALR3 O60755 2/20 0.50
LMNA P02545 2/20 0.50

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
Sulfuric Acid SCHEMBL3202107 0.95 CHRM5 (0.57) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL9801786 0.91 CHRM5 (0.53) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL4460150 0.91 CHRM5 (0.53) CHRM5CHRM1CHRM3CHRM2CHRM4
Sulfuric Acid SCHEMBL1950998 0.91 CHRM5 (0.53) CHRM5CHRM1CHRM3CHRM2CHRM4
Sulfuric Acid SCHEMBL9223988 0.91 CHRM5 (0.53) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL180003 0.91 CHRM5 (0.65) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL30183040 0.91 CHRM5 (0.65) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL15954 0.91 CHRM5 (0.65) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL10593480 0.90 CHRM5 (0.52) CHRM5CHRM1CHRM3CHRM2CHRM4
Sulfuric Acid SCHEMBL27532170 0.90 CHRM5 (0.52) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104411289-A Alkyl glycoside-based micellar thickeners for surfactant systems LUBRIZOL ADVANCED MAT INC 2015-03-11 CN disclosed
EP-1801129-A2 Polymerization process for ionic monomers CARNEGIE-MELLON UNIVERSITY (US) 2007-06-27 EP disclosed
EP-1337563-B1 POLYMERIZATION PROCESS FOR IONIC MONOMERS UNIV CARNEGIE MELLON (US) 2006-12-20 EP disclosed
US-20040044152-A1 Polymerization processes for ionic monomers MATYJASZEWSKI KRZYSZTOF (US) 2004-03-04 US disclosed
US-6624262-B2 Polymerization process for ionic monomers CARNEGIE MELON UNIVERSITY 2003-09-23 US disclosed
EP-1337563-A2 POLYMERIZATION PROCESS FOR IONIC MONOMERS CARNEGIE-MELLON UNIVERSITY (US) 2003-08-27 EP disclosed
US-20020107340-A1 Polymerization process for ionic monomers CARNEGIE MELLON UNIVERSITY 2002-08-08 US disclosed
WO-2002028913-A2 POLYMERIZATION PROCESS FOR IONIC MONOMERS CARNEGIE MELLON UNIVERSITY (US) 2002-04-11 WO disclosed
US-5804363-A High bromide (111) tabular grain emulsions containing a cationic peptizer having diallylammonium derived repeating units EASTMAN KODAK COMPANY (US) 1998-09-08 US disclosed