SCHEMBL28055092

SCHEMBL28055092

CC(CC=O)CCCC(C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.62
ACE2 Q9BYF1 1/20 0.48
GABRR1 P24046 2/20 0.43
CYP1A2 P05177 1/20 0.43
LTA4H P09960 1/20 0.43
TBXAS1 P24557 2/20 0.35
NR1I2 O75469 2/20 0.33
ALOX5 P09917 2/20 0.33
CA1 P00915 1/20 0.31
FOLH1 Q04609 2/20 0.31
NAALAD2 Q9Y3Q0 2/20 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
SCHEMBL28055034 0.90 ACE2 (0.48) BLMACE2GABRR1CYP1A2LTA4H
SCHEMBL11879730 0.81 BLM (0.83) BLMACE2GABRR1CYP1A2LTA4H
SCHEMBL17285499 0.80 BLM (0.73) BLMACE2GABRR1CYP1A2LTA4H
SCHEMBL233225 0.80 BLM (0.73) BLMACE2GABRR1CYP1A2LTA4H
SCHEMBL1966551 0.78 LMNA (0.41) BLMACE2
SCHEMBL1682647 0.78 LMNA (0.40) CYP1A2
SCHEMBL5739604 0.77 BLM (0.69) BLMACE2GABRR1CYP1A2LTA4H
SCHEMBL18791193 0.77 BLM (0.52) BLMACE2GABRR1CYP1A2LTA4H
SCHEMBL716925 0.77 BLM (1.00) BLMACE2GABRR1CYP1A2LTA4H
SCHEMBL5076969 0.77 BLM (0.52) BLMACE2GABRR1CYP1A2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105406119-A Lithium ion battery electrolyte and lithium ion battery containing electrolyte BYD CO LTD 2016-03-16 CN claimed
CN-105406119-A Lithium ion battery electrolyte and lithium ion battery containing electrolyte BYD CO LTD 2016-03-16 CN disclosed