SCHEMBL9015952

SCHEMBL9015952

COCC(O)CN(CCO)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.44
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL8628573 0.86 MAPT (0.43) KDM4EL3MBTL1MAPTALDH1A1MAPK1
SCHEMBL9371410 0.85 KDM4E (0.59) KDM4EL3MBTL1MAPTALDH1A1TSHR
SCHEMBL1059031 0.84 MAPT (0.46) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL144082 0.81 ALDH1A1 (0.37) KDM4EL3MBTL1MAPTALDH1A1TSHR
Hydrochloric Acid SCHEMBL9015914 0.80 ALDH1A1 (0.36) KDM4EL3MBTL1MAPTALDH1A1TSHR
SCHEMBL10771235 0.79 KDM4E (0.49) KDM4EL3MBTL1MAPTALDH1A1TSHR
SCHEMBL11694085 0.78 ALDH1A1 (0.41) KDM4EL3MBTL1ALDH1A1GAALMNA
SCHEMBL17199803 0.78 KDM4E (0.44) KDM4EL3MBTL1GAAAPOBEC3G
SCHEMBL19158147 0.77 MAPT (0.49) KDM4EL3MBTL1MAPTALDH1A1LMNA
SCHEMBL8635706 0.74 MAPT (0.40) MAPTALDH1A1TSHRMAPK1POLB

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 4 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
US-5122244-A Having a reducible nitroso or oxime compound to transfer electrons leading to a signal and form an aromatic amine oxidizable to a compound different from the original; low voltage BOEHRINGER MANNHEIM GMBH (DE) 1992-06-16 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