Glycinebetaine

Glycinebetaine

SCHEMBL3879924

CCCCC(CC)CC(C(=O)O)N(C)C.C[N+](C)(C)CC(=O)[O-]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BHMTBHMT2

The experimentally established mechanism targets of Glycinebetaine. 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
CA2 P00918 4/20 0.44
MAPK1 P28482 1/20 0.35
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
SLC1A3 P43003 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30

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
Glycinebetaine SCHEMBL3889766 0.81 GPR84 (0.41) CA2SLC1A2SLC1A1TSHRGRIK1
Glycinebetaine SCHEMBL1065800 0.81 GPR84 (0.41) CA2SLC1A2SLC1A1TSHRGRIK1
Glycinebetaine SCHEMBL156318 0.81 GPR84 (0.41) CA2SLC1A2SLC1A1TSHRGRIK1
Glycinebetaine SCHEMBL2135218 0.81 GPR84 (0.41) CA2SLC1A2SLC1A1TSHRGRIK1
Glycinebetaine SCHEMBL2132643 0.81 GPR84 (0.41) CA2SLC1A2SLC1A1TSHRGRIK1
Glycinebetaine SCHEMBL2131138 0.81 GPR84 (0.41) CA2SLC1A2SLC1A1TSHRGRIK1
Glycinebetaine SCHEMBL2133338 0.81 GPR84 (0.41) CA2SLC1A2SLC1A1TSHRGRIK1
Glycinebetaine SCHEMBL6416801 0.81 ACE2 (0.43) CA2SLC1A2SLC1A1CYP3A4TSHR
Glycinebetaine SCHEMBL1893593 0.80 CHRM1 (0.39) SLC1A2SLC1A1SLC1A3ALDH1A1CYP3A4
Glycinebetaine SCHEMBL6417583 0.78 CA2 (0.50) CA2MAPK1SLC1A2SLC1A1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216559-B2 Deodorant fiber and fibrous article and product made thereof JNC CORPORATION (JP) 2012-07-10 US disclosed
US-7501390-B2 Concentrated neutral detergent composition comprising an alkanesulfonic acid salt, a polyoxyalkylene alkyle ether, an alkyl polyglucoside, and water JOHNSONDIVERSEY, INC. (US) 2009-03-10 US disclosed
EP-1725639-B1 CONCENTRATED NEUTRAL DETERGENT COMPOSITION JOHNSON DIVERSEY INC (US) 2009-01-07 EP disclosed
US-20070287649-A1 Concentrated Neutral Detergent Composition DIVERSEY, INC. (FORMERLY KNOWN AS JOHNSONDIVERSEY, INC.) 2007-12-13 US disclosed
EP-1725639-A1 CONCENTRATED NEUTRAL DETERGENT COMPOSITION JohnsonDiversey, Inc. (US) 2006-11-29 EP disclosed
US-20050255078-A1 Deodorant fiber and fibrous article and product made thereof CHISSO CORPOARTION (JP) 2005-11-17 US disclosed
WO-2005093028-A1 CONCENTRATED NEUTRAL DETERGENT COMPOSITION JOHNSONDIVERSEY, INC. (US) 2005-10-06 WO disclosed