Tributyrin

Tributyrin

SCHEMBL28197890

CCC.CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC

nearest known ligand 0.70

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
LMNA P02545 1/20 0.70
PRKCA P17252 4/20 0.59
PRKCE Q02156 2/20 0.59
PRKCQ Q04759 2/20 0.59
PRKCD Q05655 2/20 0.59
LPAR3 Q9UBY5 7/20 0.55
LPAR1 Q92633 4/20 0.55
ENPP2 Q13822 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LPAR2 Q9HBW0 2/20 0.54
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
Tributyrin SCHEMBL23825 0.98 ALDH1A1 (0.72) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL601928 0.98 ALDH1A1 (0.72) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL31235642 0.96 ALDH1A1 (0.70) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL21289215 0.96 ALDH1A1 (0.70) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL28349511 0.96 ALDH1A1 (0.70) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL8933438 0.96 ALDH1A1 (0.70) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL29693663 0.96 ALDH1A1 (0.70) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL8206257 0.96 ALDH1A1 (0.70) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL19300633 0.96 ALDH1A1 (0.70) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL30241899 0.96 ALDH1A1 (0.70) ALDH1A1LMNAPRKCAPRKCEPRKCQ

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
CN-108026184-A AQUEOUS COMPOSITION COMPRISING DISPERSED ESTERIFIED CELLULOSE ETHER 陶氏环球技术有限责任公司 2018-05-11 CN disclosed
CN-107849152-A The method for producing esterified cellulose ether dispersion 陶氏环球技术有限责任公司 2018-03-27 CN disclosed