Propylene Glycol Diacetate

Propylene Glycol Diacetate

SCHEMBL7923868

CC(=O)OCC(C)OC(C)=O.CCC(=O)CC.COCCO

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 3/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRKCA P17252 2/20 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 Diacetate SCHEMBL107109 0.92 TDP1 (0.40) TDP1TSHRCHRM2CHRM4CHRM1
Propylene Glycol Diacetate SCHEMBL2466143 0.92 TDP1 (0.42) TDP1TSHRCHRM2CHRM4CHRM1
Propylene Glycol Diacetate SCHEMBL107287 0.92 TDP1 (0.42) TDP1TSHRCHRM2CHRM4CHRM1
Propylene Glycol Diacetate SCHEMBL106590 0.91 TDP1 (0.39) TDP1TSHRCHRM2CHRM4CHRM1
Propylene Glycol Diacetate SCHEMBL107443 0.91 TDP1 (0.41) TDP1TSHRCHRM2CHRM4CHRM1
Propylene Glycol Diacetate SCHEMBL106743 0.89 TDP1 (0.40) TDP1TSHRCHRM2CHRM4CHRM1
Propylene Glycol Diacetate SCHEMBL107826 0.87 ALDH1A1 (0.43) TDP1TSHRCHRM2CHRM4CHRM1
Propylene Glycol Diacetate SCHEMBL5485959 0.85 TDP1 (0.37) TDP1TSHRCHRM2CHRM4CHRM1
Propylene Glycol Diacetate SCHEMBL9849173 0.85 TDP1 (0.37) TDP1TSHRCHRM2CHRM4CHRM1
Propylene Glycol Diacetate SCHEMBL7140498 0.84 TDP1 (0.39) TDP1TSHRCHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221568-B1 USING MIXTURE OF SOLVENT AND NONSOLVENT HAVING SPECIFIED BOILING POINTS INTERNATIONAL BUSINESS MACHINES CORPORATION 2001-04-24 US claimed