SCHEMBL468463

SCHEMBL468463

C#CCN(CC(=O)O)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PYCR1 P32322 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
EYA2 O00167 1/20 0.32
APP P05067 1/20 0.32
ACE P12821 1/20 0.32
MAOB P27338 4/20 0.31
MAOA P21397 3/20 0.31
CHRM2 P08172 2/20 0.31
CYP2C19 P33261 2/20 0.31
LMNA P02545 1/20 0.31
ADRA2A P08913 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 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
SCHEMBL7200816 0.84 PYCR1 (0.38) KDM4EALDH1A1HPGDPYCR1MAOB
SCHEMBL23318152 0.83 ALDH1A1 (0.31) ALDH1A1HPGD
SCHEMBL2687920 0.78 TDP1 (0.43) KDM4ETDP1EYA2APPACE
SCHEMBL3177965 0.78 MGAM (0.41) PYCR1TSHRHSD17B10
SCHEMBL12073330 0.77
SCHEMBL9978293 0.77 CHRM1 (0.33) KDM4ETDP1EYA2APPACE
SCHEMBL6788905 0.76 TDP1 (0.41) KDM4ETDP1EYA2APPACE
Water SCHEMBL7765711 0.76 TDP1 (0.41) KDM4ETDP1EYA2APPACE
Water SCHEMBL7765705 0.76 TDP1 (0.41) KDM4ETDP1EYA2APPACE
SCHEMBL3178805 0.75 CA12 (0.41) ALDH1A1LMNAALOX15CYP1A2HSD17B10

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 72 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
EP-0285270-B1 A METHOD FOR PRODUCING 1-PROPARGYL-2,4-DIOXOIMIDAZOLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-03 EP 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
US-20170181989-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) 2017-06-29 US disclosed
US-9675604-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) 2017-06-13 US disclosed
US-6211176-B1 AIDS TREATMENT G. D. SEARLE & CO. 2001-04-03 US disclosed
US-6172082-B1 TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS G. D. SEARLE & CO. 2001-01-09 US disclosed
US-6156768-A Alpha- and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-12-05 US disclosed
US-6060476-A α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-05-09 US disclosed
WO-2000023598-A1 AMINOACYLASE AND ITS USE IN THE PRODUCTION OF D-AMINOACIDS CHIROTECH TECHNOLOGY LIMITED (GB) 2000-04-27 WO disclosed
EP-0715618-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
EP-0656887-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-14 EP disclosed
EP-0132441-A1 ANTIBACTERIAL PEPTIDES UNIVERSITY PATENTS, INC. (US) 1985-02-06 EP disclosed
WO-1984002905-A1 ANTIBACTERIAL PEPTIDES UNIVERSITY PATENTS INC (US) 1984-08-02 WO disclosed