Levulinic Acid

Levulinic Acid

SCHEMBL357904

CC(=O)CCC(=O)[O-].C[N+](C)(C)CCO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3GNRHRMPLPDE3APDE3BPDE4APDE4BPDE4CPDE4DPPARASLC5A2

The experimentally established mechanism targets of Levulinic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.48
SLC5A7 Q9GZV3 1/20 0.48
ALDH1A1 P00352 1/20 0.42
BBOX1 O75936 10/20 0.39
GALR3 O60755 1/20 0.38
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
SLC15A2 Q16348 1/20 0.36

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
Succinic Acid SCHEMBL3191898 0.91 MEN1 (0.57) ACHELMNAMEN1KMT2ACYP3A4
Succinic Acid SCHEMBL27491383 0.89 MEN1 (0.62) ACHELMNAMEN1KMT2ACYP3A4
Succinic Acid SCHEMBL6627654 0.89 CYP3A4 (0.62) ACHELMNAMEN1KMT2ACYP3A4
Alpha-Ketoglutaric Acid SCHEMBL15900082 0.83 MEN1 (0.48) ACHELMNAMEN1KMT2ACYP3A4
Succinic Acid SCHEMBL5028780 0.83 LMNA (0.48) ACHELMNAMEN1KMT2ACYP3A4
Glutarate SCHEMBL17982129 0.83 MEN1 (0.52) ACHELMNAMEN1KMT2ACYP3A4
Choline SCHEMBL316506 0.82 LMNA (0.63) ACHELMNAMEN1KMT2ACYP3A4
Levulinic Acid SCHEMBL357248 0.82 ALDH1A1 (0.56) ACHELMNAALDH1A1BBOX1FFAR3
Succinic Acid SCHEMBL28245312 0.82 CYP3A4 (0.52) LMNAMEN1KMT2ACYP3A4SLC5A7
Succinic Acid SCHEMBL6627652 0.82 LMNA (0.46) ACHELMNAMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069901-A Lignin-based phenolic resin and preparation method thereof 江苏理文造纸有限公司 2023-11-17 CN claimed
EP-2414476-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. du Pont de Nemours and Company (US) 2012-02-08 EP claimed
US-20120011886-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. DU PONT DE NEMOURS AND COMPANY 2012-01-19 US claimed
WO-2010117836-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-14 WO claimed
CN-116549541-B Weight-reducing compound composition and preparation thereof 北京澳特舒尔保健品开发有限公司 2024-04-19 CN disclosed
CN-117069901-A Lignin-based phenolic resin and preparation method thereof 江苏理文造纸有限公司 2023-11-17 CN disclosed
CN-116549541-A Weight-reducing compound composition and preparation thereof 北京澳特舒尔保健品开发有限公司 2023-08-08 CN disclosed
EP-2414476-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. du Pont de Nemours and Company (US) 2012-02-08 EP disclosed
US-20120011886-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. DU PONT DE NEMOURS AND COMPANY 2012-01-19 US disclosed
WO-2010117836-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-14 WO disclosed