Levulinic Acid

Levulinic Acid

SCHEMBL15068091

CC(=O)CCC(=O)O.CC(=O)CCC(=O)O.CC(=O)CCC(=O)O.CC(=O)CCC(=O)O.CC(=O)CCC(=O)O.[NaH].[NaH].[NaH]

nearest known ligand 0.93

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.93
▸ SLC15A2 Q16348 1/20 0.93
▸ ALDH1A1 P00352 2/20 0.67
▸ EGLN1 Q9GZT9 6/20 0.60
▸ ALKBH5 Q6P6C2 1/20 0.60
▸ SUCNR1 Q9BXA5 1/20 0.60
▸ PHF8 Q9UPP1 7/20 0.57
▸ KDM2A Q9Y2K7 7/20 0.57
▸ KDM5C P41229 4/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ KDM6B O15054 3/20 0.57
▸ FFAR3 O14843 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ SLC13A3 Q8WWT9 1/20 0.45
▸ OR51E2 Q9H255 1/20 0.45
▸ SLC22A6 Q4U2R8 2/20 0.44

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 SCHEMBL406978 1.00 — —
Levulinic Acid SCHEMBL28938454 0.97 LMNA (0.88) LMNASLC15A2ALDH1A1EGLN1ALKBH5
Levulinic Acid SCHEMBL20868 0.97 — —
Levulinic Acid SCHEMBL27931545 0.97 LMNA (1.00) LMNASLC15A2ALDH1A1EGLN1ALKBH5
Levulinic Acid SCHEMBL113572 0.97 LMNA (1.00) LMNASLC15A2ALDH1A1EGLN1ALKBH5
Levulinic Acid SCHEMBL30530258 0.97 — —
Levulinic Acid SCHEMBL21815633 0.93 — —
Levulinic Acid SCHEMBL21815797 0.93 — —
Levulinic Acid SCHEMBL12971398 0.93 — —
Levulinic Acid SCHEMBL21815732 0.93 — —

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
EP-2797571-A2 AQUEOUS HAIR AND SKIN CLEANING COMPOSITIONS COMPRISING BIOTENSIDES Evonik Industries AG (DE) 2014-11-05 — — EP disclosed
WO-2013098066-A2 AQUEOUS HAIR AND SKIN CLEANING COMPOSITIONS COMPRISING BIOTENSIDES EVONIK INDUSTRIES AG (DE) 2013-07-04 — — WO disclosed
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