SCHEMBL9542469

SCHEMBL9542469

Cc1ccc(CCOCCN(O)C(N)=O)o1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.60
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
ESR2 Q92731 1/20 0.36
MMP2 P08253 1/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 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
SCHEMBL9539738 0.87 ALOX5 (0.61) ALOX5MAPTMMP2ALDH1A1PKM
SCHEMBL9832426 0.85 ALOX5 (0.71) ALOX5KDM4EMAPTMEN1ALDH1A1
SCHEMBL9539727 0.77 ALOX5 (0.56) ALOX5KDM4EMAPTESR2MEN1
SCHEMBL8809759 0.76 ALOX5 (1.00) ALOX5PKMPOLB
Tetrabuthylammonium SCHEMBL9833807 0.74 ALOX5 (0.55) ALOX5KDM4EMAPTMEN1ALDH1A1
SCHEMBL9539795 0.72 ALOX5 (0.52) ALOX5MMP2
SCHEMBL9832912 0.71 ALOX5 (0.43) ALOX5MAPTMMP2MEN1KMT2A
SCHEMBL9585668 0.70 ALOX5 (0.49) ALOX5KDM4EMAPTMMP2MEN1
SCHEMBL9832106 0.70 ALOX5 (0.53) ALOX5KDM4EMAPTMEN1ALDH1A1
SCHEMBL9584883 0.69 ALOX5 (0.62) ALOX5KDM4EMAPTMMP2ALDH1A1

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
WO-1993003719-A1 ARYLALKYLETHER AND ARYLALKYLTHIOETHER INHIBITORS OF LIPOXYGENASE ENZYME ACTIVITY ABBOTT LABORATORIES (US) 1993-03-04 WO claimed