SCHEMBL21679671

SCHEMBL21679671

CCCCCCCC1OC(=O)C1CCCCCC#CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G6 O60733 2/20 0.58
PLA2G4A P47712 1/20 0.58
DAGLA Q9Y4D2 3/20 0.48
LYPLA1 O75608 5/20 0.47
LYPLA2 O95372 5/20 0.47
ABHD16A O95870 1/20 0.47
FASN P49327 1/20 0.42
KCNH2 Q12809 1/20 0.41
PRKCA P17252 1/20 0.41
PNLIP P16233 1/20 0.41

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
SCHEMBL17760807 0.82 PLA2G6 (0.84) PLA2G6PLA2G4ADAGLALYPLA1LYPLA2
SCHEMBL19514904 0.82 PLA2G6 (0.84) PLA2G6PLA2G4ADAGLALYPLA1LYPLA2
SCHEMBL17979630 0.82 PLA2G6 (0.80) PLA2G6PLA2G4ADAGLALYPLA1LYPLA2
SCHEMBL19514935 0.82 PLA2G6 (0.84) PLA2G6PLA2G4ADAGLALYPLA1LYPLA2
SCHEMBL19514903 0.82 PLA2G6 (0.84) PLA2G6PLA2G4ADAGLALYPLA1LYPLA2
SCHEMBL17760808 0.82 PLA2G6 (0.84) PLA2G6PLA2G4ADAGLALYPLA1LYPLA2
SCHEMBL19514898 0.82 PLA2G6 (0.84) PLA2G6PLA2G4ADAGLALYPLA1LYPLA2
SCHEMBL19514905 0.82 PLA2G6 (0.84) PLA2G6PLA2G4ADAGLALYPLA1LYPLA2
SCHEMBL17760804 0.82 PLA2G6 (0.84) PLA2G6PLA2G4ADAGLALYPLA1LYPLA2
SCHEMBL19514934 0.82 PLA2G6 (0.84) PLA2G6PLA2G4ADAGLALYPLA1LYPLA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048668-A1 BIOLOGICAL PRODUCTION OF ß-LACTONES REGENTS OF THE UNIVERSITY OF MINNESOTA 2020-02-13 US disclosed