Glycerin

Glycerin

SCHEMBL8890733

C[N+](C)(C)CC(O)COP(=O)(O)O.OCC(O)CO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
LPAR5 Q9H1C0 2/20 0.44
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
LPAR1 Q92633 4/20 0.41
LPAR6 P43657 1/20 0.41
LPAR4 Q99677 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
ENPP2 Q13822 1/20 0.41
PGD P52209 3/20 0.40
MPI P34949 1/20 0.40
SLC22A16 Q86VW1 1/20 0.39

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
SCHEMBL6236749 0.92 LPAR5 (0.49) SMN1; SMN2LPAR5PGK1PGK2LPAR1
Ethylene Glycol SCHEMBL8891682 0.90 LPAR5 (0.45) SMN1; SMN2LPAR5PGK1PGK2LPAR1
Glycerin SCHEMBL770263 0.86 PGK1 (0.50) SMN1; SMN2LPAR5PGK1PGK2LPAR1
SCHEMBL30211934 0.86 PGK1 (0.50) SMN1; SMN2LPAR5PGK1PGK2LPAR1
SCHEMBL29822621 0.86 PGK1 (0.50) SMN1; SMN2LPAR5PGK1PGK2LPAR1
Choline SCHEMBL29876695 0.84 SMN1; SMN2 (0.58) SMN1; SMN2LPAR5PGK1PGK2LPAR1
Choline SCHEMBL1009005 0.84 SMN1; SMN2 (0.58) SMN1; SMN2LPAR5PGK1PGK2LPAR1
Glycerin SCHEMBL28247436 0.84 PGK1 (0.48) SMN1; SMN2LPAR5PGK1PGK2LPAR1
SCHEMBL213379 0.83 PGK1 (0.52) SMN1; SMN2LPAR5PGK1PGK2LPAR1
SCHEMBL14278847 0.83 PGK1 (0.52) SMN1; SMN2LPAR5PGK1PGK2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514588-B1 Novel phosphobetaine and detergent and cosmetic containing the same KAO CORP (JP) 1997-06-11 EP disclosed
US-5409705-A Phosphobetaine and detergent and cosmetic containing the same KAO CORPORATION (JP) 1995-04-25 US disclosed
EP-0514588-A2 Novel phosphobetaine and detergent and cosmetic containing the same Kao Corporation (JP) 1991-11-25 EP disclosed