SCHEMBL468505

SCHEMBL468505

CSC(C)CC(=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 2/20 0.33
CA2 P00918 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SLC13A3 Q8WWT9 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL289798 0.79
SCHEMBL27555150 0.79
2-Oxoisohexanoate SCHEMBL6845538 0.76 CA2 (0.50) OR51E2CA2TDP1ALDH1A1MAPK1
SCHEMBL401783 0.74
2-Oxoisohexanoate SCHEMBL43491 0.73
2-Oxoisohexanoate SCHEMBL18302256 0.73 CA2 (0.52) OR51E2CA2TDP1ALDH1A1MAPK1
SCHEMBL16114175 0.73 OR51E2 (0.40) OR51E2CA2TDP1ALDH1A1MAPK1
SCHEMBL2701354 0.72
SCHEMBL11919740 0.72 GRIK1 (0.37) OR51E2TDP1ALDH1A1MAPK1SLC13A3
SCHEMBL2964153 0.72

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009018368-A1 COMBINATION TREATMENT OF NMDA (N-METHYL-D-ASPARTATE)-ENHANCER, GLYCINE TRANSPORTER INHIBITOR, D-AMINO ACID OXIDASE INHIBITOR (DAAOI) FOR NEUROPSYCHIATRIC DISORDERS LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2009-02-05 WO claimed
JP-2002542797-A 2002-12-17 JP claimed
US-6403144-B1 LECITHIN ANTISTICK AGENT, NUCLEOTIDE FLAVOR ENHANCER, POLYDIMETHYLSILOXANE ANTIFOAM AGENT, RELATIVELY LOW AMOUNTS YET PROVIDE IMPROVED FLAVOR, TEXTURE AND AROMA OF COOKING OIL, COOKING SPRAY, AND SHORTENING THE PROCTER & GAMBLE CO. 2002-06-11 US claimed
US-20020045001-A1 Food preparation compositions THE J.M. SMUCKER COMPANY 2002-04-18 US claimed
EP-1176879-A1 FOOD PREPARATION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2002-02-06 EP claimed
WO-2000065933-A1 FOOD PREPARATION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-11-09 WO claimed
US-11529342-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2022-12-20 US disclosed
EP-3006023-B1 SORBIC ACID AND DERIVATIVES THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RES INST HARBOR UCLA MEDICAL CT (US) 2019-06-26 EP disclosed
US-20190151301-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2019-05-23 US disclosed
EP-3006024-B1 BENZOIC ACID OR SALTS THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RES INST HARBOR UCLA MEDICAL CT (US) 2019-03-20 EP disclosed
US-10149845-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2018-12-11 US disclosed
US-10039730-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2018-08-07 US disclosed
US-20170189358-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2017-07-06 US disclosed
WO-2002066672-A2 TREATMENT OF CNS DISORDERS USING D-AMINO ACID OXIDASE AND D-ASPARTATE OXIDASE ANTAGONISTS GENSET S.A. (FR) 2002-08-29 WO disclosed
US-6403144-B1 LECITHIN ANTISTICK AGENT, NUCLEOTIDE FLAVOR ENHANCER, POLYDIMETHYLSILOXANE ANTIFOAM AGENT, RELATIVELY LOW AMOUNTS YET PROVIDE IMPROVED FLAVOR, TEXTURE AND AROMA OF COOKING OIL, COOKING SPRAY, AND SHORTENING THE PROCTER & GAMBLE CO. 2002-06-11 US disclosed
US-20020045001-A1 Food preparation compositions THE J.M. SMUCKER COMPANY 2002-04-18 US disclosed
EP-1176873-A1 FLAVOR ENHANCING OILS THE PROCTER & GAMBLE COMPANY (US) 2002-02-06 EP disclosed
EP-1176879-A1 FOOD PREPARATION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2002-02-06 EP disclosed
WO-2000065933-A1 FOOD PREPARATION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-11-09 WO disclosed
WO-2000065926-A1 FLAVOR ENHANCING OILS THE PROCTER & GAMBLE COMPANY (US) 2000-11-09 WO disclosed