Levulinic Acid

Levulinic Acid

SCHEMBL2634413

C1CCOC1.C1CCOC1.CC(=O)CCC(=O)O

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
SLC15A2 Q16348 1/20 0.67
ALDH1A1 P00352 5/20 0.48
EGLN1 Q9GZT9 4/20 0.44
PHF8 Q9UPP1 3/20 0.44
KDM2A Q9Y2K7 3/20 0.44
KDM4E B2RXH2 2/20 0.44
KDM5C P41229 2/20 0.44
KDM6B O15054 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.43
GLA P06280 1/20 0.42
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HSD17B10 Q99714 1/20 0.35
PAOX Q6QHF9 1/20 0.35
MAPK1 P28482 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
Levulinic Acid SCHEMBL27598664 0.93 LMNA (0.70) LMNASLC15A2ALDH1A1EGLN1PHF8
Levulinic Acid SCHEMBL27598665 0.88 LMNA (0.64) LMNASLC15A2ALDH1A1EGLN1PHF8
Succinic Acid SCHEMBL29029707 0.87 EGLN1 (0.50) LMNASLC15A2ALDH1A1EGLN1PHF8
Succinic Acid SCHEMBL27874699 0.87 LMNA (0.56) LMNASLC15A2ALDH1A1EGLN1PHF8
Succinic Acid SCHEMBL7860504 0.87 LMNA (0.56) LMNASLC15A2ALDH1A1EGLN1PHF8
Levulinic Acid SCHEMBL2634416 0.84 LMNA (0.64) LMNASLC15A2ALDH1A1EGLN1PHF8
Dioxane SCHEMBL27857795 0.82 ALDH1A1 (0.62) LMNASLC15A2ALDH1A1KDM4EGLA
Levulinic Acid SCHEMBL30530258 0.82
Levulinic Acid SCHEMBL27931545 0.82 LMNA (1.00) LMNASLC15A2ALDH1A1EGLN1PHF8
Levulinic Acid SCHEMBL113572 0.82 LMNA (1.00) LMNASLC15A2ALDH1A1EGLN1PHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102449118-A Multi-product biorefinery system for synthesis of fuel components and chemicals from lignocellulose through levulinic acid ester condensation ENERGY & ENVIRON RES CT FOUND 2012-05-09 CN disclosed
EP-2438144-A2 MULTIPRODUCT BIOREFINERY FOR SYNTHESIS OF FUEL COMPONENTS AND CHEMICALS FROM LIGNOCELLULOSICS VIA LEVULINATE CONDENSATIONS Energy & Environmental Research Center Foundation (US) 2012-04-11 EP disclosed
US-20100312028-A1 MULTIPRODUCT BIOREFINERY FOR SYNTHESIS OF FUEL COMPONENTS AND CHEMICALS FROM LIGNOCELLULOSICS VIA LEVULINATE CONDENSATIONS ENERGY & ENVIROMENTAL RESEARCH CENTER FOUNDATION 2010-12-09 US disclosed
WO-2010141950-A2 MULTIPRODUCT BIOREFINERY FOR SYNTHESIS OF FUEL COMPONENTS AND CHEMICALS FROM LIGNOCELLULOSICS VIA LEVULINATE CONDENSATIONS ENERGY & ENVIRONMENTAL RESEARCH CENTER FOUNDATION (US) 2010-12-09 WO disclosed