SCHEMBL665744

SCHEMBL665744

O=CCCC(=O)C(=O)O.O=CCCC(=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 2/20 0.55
EGLN1 Q9GZT9 2/20 0.55
MAPK1 P28482 1/20 0.55
SLC13A3 Q8WWT9 1/20 0.55
LMNA P02545 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
HIF1A Q16665 1/20 0.35
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL60431 1.00
Alpha-Ketoglutaric Acid SCHEMBL12760653 0.87 EGLN1 (0.70) OR51E2EGLN1MAPK1SLC13A3LMNA
SCHEMBL1296671 0.83 OR51E2 (0.50) OR51E2EGLN1MAPK1SLC13A3LMNA
SCHEMBL14386822 0.81 MAPK1 (0.48) OR51E2EGLN1MAPK1SLC13A3LMNA
SCHEMBL23174677 0.79 MAPK1 (0.46) OR51E2EGLN1MAPK1SLC13A3LMNA
SCHEMBL28777797 0.79 MAPK1 (0.46) OR51E2EGLN1MAPK1SLC13A3LMNA
SCHEMBL21600769 0.79 MAPK1 (0.46) OR51E2EGLN1MAPK1SLC13A3LMNA
SCHEMBL11678127 0.79 MAPK1 (0.46) OR51E2EGLN1MAPK1SLC13A3LMNA
Benzene SCHEMBL8775366 0.79 OR51E2 (0.46) OR51E2EGLN1MAPK1SLC13A3LMNA
SCHEMBL7939722 0.79 HIF1A (0.37) OR51E2EGLN1MAPK1SLC13A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102762735-B Microorganisms producing 1, 4-butanediol, 4-hydroxybutyraldehyde, 4-hydroxybutyryl-COA, putrescine and related compounds and related methods 基因组股份公司 2016-08-03 CN disclosed
US-20120045804-A1 CONVERSION OF HEXURONIC ACID TO HEXARIC ACID TEKNOLOGIAN TUTKIMUSKESKUS VTT (FI) 2012-02-23 US disclosed
EP-2376620-A1 CONVERSION OF HEXURONIC ACID TO HEXARIC ACID Teknologian Tutkimuskeskus VTT (FI) 2011-10-19 EP disclosed