SCHEMBL28055103

SCHEMBL28055103

CC(CCC=O)CCC(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.52
BLM P54132 1/20 0.50
GABRR1 P24046 2/20 0.46
CYP1A2 P05177 1/20 0.46
LTA4H P09960 1/20 0.37
BHMT Q93088 1/20 0.36
BHMT2 Q9H2M3 1/20 0.36
ALOX15 P16050 2/20 0.35
ALDH1A1 P00352 1/20 0.33
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
ENPEP Q07075 2/20 0.32
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 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
SCHEMBL287670 0.89
SCHEMBL27747322 0.89
SCHEMBL28055059 0.88 ACE2 (0.58) ACE2BLMGABRR1CYP1A2LTA4H
SCHEMBL14606154 0.81 ACE2 (0.50) ACE2BLMGABRR1CYP1A2LTA4H
SCHEMBL10255203 0.81 ACE2 (0.50) ACE2BLMGABRR1CYP1A2LTA4H
SCHEMBL17381336 0.81 ALDH1A1 (0.42) ALOX15ALDH1A1
SCHEMBL5076969 0.80 BLM (0.52) ACE2BLMGABRR1CYP1A2LTA4H
SCHEMBL18791193 0.80 BLM (0.52) ACE2BLMGABRR1CYP1A2LTA4H
SCHEMBL28055034 0.80 ACE2 (0.48) ACE2BLMGABRR1CYP1A2LTA4H
SCHEMBL585345 0.79 ALOX15 (0.59) ACE2BLMGABRR1CYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105406119-B A kind of lithium-ion battery electrolytes and the lithium ion battery containing the electrolyte 比亚迪股份有限公司 2018-05-29 CN claimed
CN-105406119-A Lithium ion battery electrolyte and lithium ion battery containing electrolyte BYD CO LTD 2016-03-16 CN claimed
CN-105406119-B A kind of lithium-ion battery electrolytes and the lithium ion battery containing the electrolyte 比亚迪股份有限公司 2018-05-29 CN disclosed
CN-105406119-A Lithium ion battery electrolyte and lithium ion battery containing electrolyte BYD CO LTD 2016-03-16 CN disclosed