Glycinebetaine

Glycinebetaine

SCHEMBL9710566

CC(O)Oc1ccccc1.C[N+](C)(C)CC(=O)[O-].OCCO

nearest known ligand 0.39

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
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
FFAR1 O14842 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 3/20 0.36
POLB P06746 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALPL P05186 1/20 0.36
ALPG P10696 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
Ethylene Glycol SCHEMBL9388302 0.81 LMNA (0.50) MTNR1AMTNR1BFFAR1LMNAGAA
Propionic Acid SCHEMBL28882997 0.79 MTNR1A (0.45) MTNR1AMTNR1BLMNAGAAPOLB
SCHEMBL4438868 0.75 MTNR1A (0.43) MTNR1AMTNR1BGAAPOLBCYP1A2
SCHEMBL18886541 0.74 LMNA (0.47) MTNR1AMTNR1BLMNAGAAPOLB
Propanol SCHEMBL6407074 0.74 LMNA (0.47) MTNR1AMTNR1BLMNAGAAPOLB
Alcohol SCHEMBL4086513 0.74 LMNA (0.50) MTNR1AMTNR1BLMNAGAAPOLB
Acetic Acid SCHEMBL27465373 0.74 MTNR1A (0.53) MTNR1AMTNR1BLMNAGAAPOLB
SCHEMBL15709 0.74 LMNA (0.52) MTNR1AMTNR1BLMNAGAAPOLB
Benzene SCHEMBL28097669 0.74 LMNA (0.52) MTNR1AMTNR1BLMNAGAAPOLB
SCHEMBL167127 0.74 LMNA (0.52) MTNR1AMTNR1BLMNAGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992019275-A2 COSMETIC COMPOSITIONS THE PROCTER & GAMBLE_COMPANY (US) 1992-11-12 WO disclosed
WO-1992019216-A1 SKIN AND HAIR-CARE GEL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1992-11-12 WO disclosed