SCHEMBL13770577

SCHEMBL13770577

N#CCCOCCN(CCC#N)CCOCCN

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.52
LOX P28300 1/20 0.36
LOXL3 P58215 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL13862921 0.96 LCK (0.55) LCKLOXLOXL3LOXL2
SCHEMBL12831124 0.92 LCK (0.52) LCKLOXLOXL3LOXL2
SCHEMBL12127628 0.90 LCK (0.45) LCK
SCHEMBL13844460 0.88 LCK (0.55) LCKLOXLOXL3LOXL2
SCHEMBL10937153 0.85 LCK (0.38) LCK
SCHEMBL11443097 0.83 BLM (0.38) LCK
SCHEMBL14312046 0.83
SCHEMBL20348280 0.81 LOX (0.48) LCKLOXLOXL3LOXL2
Hydrochloric Acid SCHEMBL2246728 0.81
SCHEMBL12176952 0.81 LOX (0.48) LCKLOXLOXL3LOXL2

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
WO-2009085072-A1 COMPOSITION COMPRISING CHELATING AGENTS CONTAINING AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC (US) 2009-07-09 WO disclosed
WO-2009058277-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed