SCHEMBL4460150

SCHEMBL4460150

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

nearest known ligand 0.53

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 0.53
HTR1A known ✓ P08908 2/20 0.50
CHRNA10 known ✓ Q9GZZ6 1/20 0.50
CHRNA9 known ✓ Q9UGM1 1/20 0.50
ADRA2A known ✓ P08913 1/20 0.46
ADRA1A known ✓ P35348 1/20 0.46
CHRM5 P08912 6/20 0.53
CHRM3 P20309 6/20 0.53
CHRM2 P08172 5/20 0.50
CHRM4 P08173 5/20 0.50
CHRNB2 P17787 4/20 0.50
CHRNA4 P43681 4/20 0.50
CHRNA7 P36544 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PGR P06401 1/20 0.50
TBXA2R P21731 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
GALR3 O60755 2/20 0.49
MAPT P10636 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
Sulfuric Acid SCHEMBL9223976 0.95 CHRM5 (0.55) CHRM5CHRM1CHRM3CHRM2CHRM4
Sulfuric Acid SCHEMBL662900 0.95 CHRM5 (0.55) CHRM5CHRM1CHRM3CHRM2CHRM4
Sulfuric Acid SCHEMBL1950998 0.93 CHRM5 (0.53) CHRM5CHRM1CHRM3CHRM2CHRM4
Sulfuric Acid SCHEMBL9223988 0.93 CHRM5 (0.53) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL9801783 0.92 CHRM5 (0.52) CHRM5CHRM1CHRM3CHRM2CHRM4
Sulfuric Acid SCHEMBL27532170 0.92 CHRM5 (0.52) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL5607644 0.91 CHRM5 (0.55) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL1292784 0.90 CHRM5 (0.50) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL34072 0.90 CHRM5 (0.50) CHRM5CHRM1CHRM3CHRM2CHRM4
Methacrylic Acid SCHEMBL31621225 0.90 CHRM5 (0.50) 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
US-7625474-B1 Method for a microfluidic weaklink device SANDIA CORPORATION (US) 2009-12-01 US 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-4283517-A BY HEATING IMMEDIATELY PRIOR TO DEPOSITING ON A BELT MILCHEM INCORPORATED (US) 1981-08-11 US disclosed