SCHEMBL9015899

SCHEMBL9015899

COCCOCCOCCN(CCO)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 3/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
PPARG P37231 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL27257211 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL25399798 0.92 USP2 (0.40) ALDH1A1MEN1KMT2AGAAADRB2
SCHEMBL11864901 0.92 USP2 (0.40) ALDH1A1MEN1KMT2AGAAADRB2
SCHEMBL11694085 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL4972628 0.86 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL18216986 0.84 MEN1 (0.42) ALDH1A1KDM4EMEN1KMT2AADRB2
SCHEMBL12970039 0.84 MEN1 (0.42) ALDH1A1KDM4EMEN1KMT2AADRB2
SCHEMBL11652580 0.83 TSHR (0.46) KDM4EMEN1KMT2AGAASMN1; SMN2
SCHEMBL11807152 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2AADRB2
SCHEMBL12525219 0.82 ALOX15 (0.41) ALDH1A1MEN1KMT2AGAAADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441222-B1 Process and electrode system for determining an analyte or an oxidoreductase as well as suitable compounds BOEHRINGER MANNHEIM GMBH (DE) 1996-12-18 EP disclosed
US-5286362-A Reducible substance is enzymatically reduced and oxidized at the electrode; substance formed by oxidation is different from the reducible substance used initially BOEHRINGER MANNHEIM GMBH (DE) 1994-02-15 US disclosed
EP-0441222-A2 Process and electrode system for determining an analyte or an oxidoreductase as well as suitable compounds Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed