Levulinic Acid

Levulinic Acid

SCHEMBL3393283

CC(=O)CCC(=O)O.CC(=O)CCC(=O)[O-].CC[n+]1ccn(C)c1

nearest known ligand 0.39

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
SLC15A2 Q16348 1/20 0.39
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 SCHEMBL356603 0.94 MEN1 (0.35) MEN1HSP90AA1KMT2ASMN1; SMN2
Succinic Acid SCHEMBL28948454 0.94 FFAR3 (0.31) MEN1HSP90AA1KMT2ASMN1; SMN2
Succinic Acid SCHEMBL29142338 0.90 MEN1 (0.33) LMNASLC15A2MEN1HSP90AA1KMT2A
Glutarate SCHEMBL29142280 0.84 MEN1 (0.35) MEN1HSP90AA1KMT2ASMN1; SMN2
Butyric Acid SCHEMBL509159 0.82 FFAR3 (0.47) MEN1HSP90AA1KMT2ASMN1; SMN2
Acetic Acid SCHEMBL28506135 0.82 MEN1 (0.36) MEN1HSP90AA1KMT2ASMN1; SMN2
Acetic Acid SCHEMBL302142 0.82 MEN1 (0.37) MEN1HSP90AA1KMT2ASMN1; SMN2
Bicarbonate SCHEMBL357950 0.82 MEN1 (0.34) MEN1HSP90AA1KMT2ASMN1; SMN2
Levulinic Acid SCHEMBL357673 0.81 MEN1 (0.41) MEN1HSP90AA1KMT2ASMN1; SMN2
Oxalic Acid SCHEMBL29142278 0.81 MEN1 (0.35) MEN1HSP90AA1KMT2ASMN1; SMN2

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-2010065606-A2 PROCESS FOR FERMENTIVE PREPARATION OF ALCOHOLS AND RECOVERY OF PRODUCT E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-10 WO disclosed