SCHEMBL9015909

SCHEMBL9015909

OCCN(CCO)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
MMP14 P50281 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
MCL1 Q07820 1/20 0.42
CETP P11597 5/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL38650580 1.00 MAPT (0.46) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL10605812 0.87 KMT2A (0.47) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL10903401 0.79 TAAR1 (0.44) MAPTKMT2ALMNASMN1; SMN2NPC1
SCHEMBL1600066 0.79 ALDH1A1 (0.62) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL3186807 0.79 ENPP2 (0.48) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL4440953 0.78 LTB4R2 (0.43) KMT2AMEN1POLBRAB9AALDH1A1
SCHEMBL94021 0.78 CYP3A4 (0.42) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL11067328 0.78 ALDH1A1 (0.60) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL30197830 0.78 MAPT (0.69) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL29431930 0.78 MAPT (0.44) MAPTKMT2AMEN1LMNASMN1; SMN2

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 7 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
EP-0600045-B1 HAIR DYE WELLA AG (DE) 1996-01-24 EP disclosed
US-5409502-A Acid resistance WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US 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
US-3997519-A Method of producing quaternary pyridinium compounds GAF CORPORATION (US) 1976-12-14 US disclosed