Propylene Glycol

Propylene Glycol

SCHEMBL3728907

CC(O)CO.CCCOC(CC(=O)O)C(=O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

The experimentally established mechanism targets of Propylene Glycol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR84 Q9NQS5 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
CYP2C19 P33261 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.31
PTPRF P10586 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
MME P08473 2/20 0.31
OR51E2 Q9H255 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
Propylene Glycol SCHEMBL3732367 0.90 GPR84 (0.39) GPR84USP2PTPRFPTPN2PTPN1
SCHEMBL8034253 0.89 TDP1 (0.37) TDP1GPR84SMN1; SMN2CYP2C19SLC22A6
SCHEMBL3731765 0.88 TDP1 (0.45) TDP1HSD17B10USP2
Ethylene Glycol SCHEMBL3731973 0.87 CYP2C19 (0.34) TDP1GPR84SMN1; SMN2CYP2C19SLC22A6
Propylene Glycol SCHEMBL3729121 0.86 TDP1 (0.37) TDP1GPR84SMN1; SMN2SLC22A6MME
1,4-Butanediol SCHEMBL3742477 0.84 GPR84 (0.34) TDP1HSD17B10GPR84SMN1; SMN2CYP2C19
Di(Hydroxyethyl)Ether SCHEMBL3730783 0.83 TSHR (0.44) TDP1GPR84CYP2C19PTPRFPTPN2
SCHEMBL3738483 0.79 TDP1 (0.40) TDP1HSD17B10GPR84USP2PTPRF
SCHEMBL4968928 0.79 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6
SCHEMBL5939357 0.79 HDAC2 (0.36) TDP1USP2OR51E2

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
US-7825178-B2 Leveling agent for floor polish and aqueous floor polish composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-02 US disclosed
US-20070289481-A1 Leveling Agent for Floor Polish and Aqueous Floor Polish Composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-12-20 US disclosed