Glycinebetaine

Glycinebetaine

SCHEMBL8772044

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

nearest known ligand 0.55

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 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
APEX1 P27695 1/20 0.52
FFAR3 O14843 3/20 0.50
SLC22A16 Q86VW1 1/20 0.38
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
BBOX1 O75936 7/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
MAPT P10636 1/20 0.33

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 SCHEMBL11579913 0.98 TSHR (0.52) TSHRALDH1A1LMNAAPEX1FFAR3
Glycinebetaine SCHEMBL20337331 0.87 TSHR (0.48) TSHRALDH1A1LMNAAPEX1FFAR3
Glycinebetaine SCHEMBL9281697 0.87 TSHR (0.55) TSHRALDH1A1LMNAAPEX1FFAR3
Betaine SCHEMBL31467313 0.87
Glycinebetaine SCHEMBL2803780 0.87 TSHR (0.53) TSHRALDH1A1LMNAAPEX1FFAR3
Glycinebetaine SCHEMBL4900209 0.87
Glycinebetaine SCHEMBL8678519 0.87 TSHR (0.53) TSHRALDH1A1LMNAAPEX1FFAR3
Glycinebetaine SCHEMBL7739 0.87
Betaine SCHEMBL677352 0.85 TSHR (0.70) TSHRALDH1A1LMNAAPEX1FFAR3
Glycinebetaine SCHEMBL15813100 0.85 TSHR (0.55) TSHRALDH1A1LMNAAPEX1FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56169658-A None JP disclosed
JP-56169658-A None JP disclosed
CN-100526916-C Multilayer optical adhesive and article 3M INNOVATIVE PROPERTIES CO (US) 2009-08-12 CN disclosed
CN-1875296-A Multilayer optical adhesives and articles 3M INNOVATIVE PROPERTIES CO (US) 2006-12-06 CN disclosed
EP-0797644-A1 REMOVABLE PRESSURE SENSITIVE ADHESIVE AND ARTICLE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-01 EP disclosed
WO-1996018701-A1 REMOVABLE PRESSURE SENSITIVE ADHESIVE AND ARTICLE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-06-20 WO disclosed
JP-S56169658-A PREPARATION OF PROPIONATE BETAINE CRYSTAL FUJI PHOTO FILM CO LTD 1981-12-26 JP disclosed
JP-S56169658-A PREPARATION OF PROPIONATE BETAINE CRYSTAL FUJI PHOTO FILM CO LTD 1981-12-26 JP disclosed