SCHEMBL6899221

SCHEMBL6899221

CC(C)C(=O)O.NCC=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.44
SLC7A5 Q01650 2/20 0.39
TP53 P04637 1/20 0.38
GABRR2 P28476 2/20 0.36
BLM P54132 2/20 0.36
GABRR3 A8MPY1 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
APEX1 P27695 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ABAT P80404 1/20 0.36
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CTH P32929 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIK3 Q13003 1/20 0.34

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
Lactic Acid SCHEMBL4379980 0.86 TP53 (0.58) GABRR1SLC7A5TP53GABRR2BLM
Alanine SCHEMBL28681591 0.86 GABRR1 (0.42) GABRR1SLC7A5SLC1A3SLC1A2SLC1A1
Malonaldehyde SCHEMBL7111168 0.80 TP53 (0.40) GABRR1SLC7A5TP53LMNATDP1
Propionaldehyde SCHEMBL28220762 0.80 TDP1 (0.53) GABRR1SLC7A5TP53TDP1GRIK1
Malonaldehyde SCHEMBL4014033 0.80 TP53 (0.40) GABRR1SLC7A5TP53LMNATDP1
Ethylenediamine SCHEMBL26086247 0.79 GABRR1 (0.57) GABRR1SLC7A5TP53SLC1A3SLC1A2
Acetic Acid SCHEMBL6924407 0.79
Ethylenediamine SCHEMBL28098324 0.79 GABRR1 (0.57) GABRR1SLC7A5TP53SLC1A3SLC1A2
Ethylenediamine SCHEMBL11706753 0.79 GABRR1 (0.57) GABRR1SLC7A5TP53SLC1A3SLC1A2
Bicarbonate SCHEMBL8069099 0.78 GABRR1 (0.45) GABRR1GABRR2BLMGABRR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023246872-A1 HETEROCYCLIC COMPOUND AS TAAR1 LIGAND AGONIST 山东绿叶制药有限公司 2023-12-28 WO disclosed
WO-2023237085-A1 HPK1 INHIBITOR AND MEDICAL USE THEREOF 贝达药业股份有限公司 2023-12-14 WO disclosed
EP-3038992-B1 NOVEL FIBERS, METHODS FOR THEIR PREPARATION AND USE IN THE MANUFACTURE OF REINFORCED ELEMENTS CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2019-10-30 EP disclosed
US-10065887-B2 Fibers, methods for their preparation and use in the manufacture of reinforced elements CONSTRUCTION RESEARCH & TECHNOLOGY, GMBH (DE) 2018-09-04 US disclosed
US-20180022980-A1 USE OF CSH-SEED MODIFIED FIBERS IN OIL FIELD APPLICATIONS BASF CONSTRUCTION SOLUTIONS GMBH (DE) 2018-01-25 US disclosed
EP-3262009-A1 USE OF CSH-SEED MODIFIED FIBERS IN OIL FIELD APPLICATIONS BASF SE (DE) 2018-01-03 EP disclosed
WO-2016135182-A1 USE OF CSH-SEED MODIFIED FIBERS IN OIL FIELD APPLICATIONS BASF SE (DE) 2016-09-01 WO disclosed
US-20160194245-A1 NOVEL FIBERS, METHODS FOR THEIR PREPARATION AND USE IN THE MANUFACTURE OF REINFORCED ELEMENTS CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2016-07-07 US disclosed
EP-3038992-A1 NOVEL FIBERS, METHODS FOR THEIR PREPARATION AND USE IN THE MANUFACTURE OF REINFORCED ELEMENTS Construction Research & Technology GmbH (DE) 2016-07-06 EP disclosed
WO-2015177537-A1 PROCESS FOR PREPARING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVES AND INTERMEDIATES THEREOF CIPLA LIMITED (IN) 2015-11-26 WO disclosed
US-6211178-B1 ANTIPROTOZOA AGENTS FOR COCCIDIOIDES; CYCLIZATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
EP-1054889-A1 NEW OXAZOLIDINONES WITH AZOL-CONTAINING TRICYCLES Bayer Aktiengesellschaft (DE) 2000-11-29 EP disclosed
EP-1029854-A1 Oxazolidinones and their use as antibacterial agents BAYER AG (DE) 2000-08-23 EP disclosed
US-5994355-A ANTIPROTOZOA AGENTS, PARASITICIDE; VETERINARY MEDICINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
WO-1999040094-A1 AGENT FOR SEALING METALLIC GROUND COATS, ESPECIALLY GROUND COATS CONSISTING OF ZINC OR ZINC ALLOYS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-12 WO disclosed
EP-0648760-B1 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-01-27 EP disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0648760-A2 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-19 EP disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP disclosed