SCHEMBL2587518

SCHEMBL2587518

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nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PRKCA P17252 6/20 0.41
LMNA P02545 2/20 0.41
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
Sorbitol SCHEMBL3029801 0.88 PRKCA (0.50) PDE4APRKCALMNAPRKCEPRKCQ
SCHEMBL3692442 0.84 PDE4A (0.54) PDE4APRKCALMNAL3MBTL1
SCHEMBL3667118 0.83 PDE4A (0.48) PDE4APRKCALMNAL3MBTL1
Triacetin SCHEMBL6398249 0.83 PRKCA (0.44) PDE4APRKCALMNAL3MBTL1
SCHEMBL347295 0.79 LMNA (0.48) PDE4ALMNAL3MBTL1
SCHEMBL349280 0.79 LMNA (0.48) PDE4ALMNAL3MBTL1
SCHEMBL5909539 0.79 LMNA (0.48) PDE4ALMNAL3MBTL1
SCHEMBL17608732 0.78 PGD (0.44) PDE4ALMNA
Hydrochloric Acid SCHEMBL9276429 0.78 PDE4A (0.47) PDE4ALMNAL3MBTL1
SCHEMBL8677624 0.77 TDP1 (0.50) PDE4ALMNAL3MBTL1

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
WO-2011140386-A2 DETOXIFICATION OF BIOMASS DERIVED ACETATE VIA METABOLIC CONVERSION TO ETHANOL, ACETONE, ISOPROPANOL, OR ETHYL ACETATE MASCOMA CORPORATION (US) 2011-11-10 WO disclosed