SCHEMBL1834432

SCHEMBL1834432

COC(C)NC(C)OC.O=C(O)c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 3/20 0.46
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PKM P14618 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 2/20 0.43
ALB P02768 1/20 0.43
PTPN1 P18031 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL27732580 0.83 CES2 (0.47) POLBKDM4EHPGDHSD17B10GAA
Salicylic Acid SCHEMBL1835748 0.82 HPGD (0.60) KDM4EHPGDHSD17B10GAANPC1
SCHEMBL2533420 0.81 ALDH1A1 (0.61) POLBKDM4EHPGDHSD17B10NPC1
SCHEMBL1838097 0.80 KDM4E (0.45) KDM4EHPGDHSD17B10ALDH1A1KMT2A
SCHEMBL1838103 0.80 KDM4E (0.45) KDM4EHPGDHSD17B10ALDH1A1KMT2A
Methyl Alcohol SCHEMBL20994106 0.78 CES2 (0.62) POLBKDM4EHPGDGAANPC1
Fluoromethane SCHEMBL28310900 0.78 CES2 (0.62) POLBKDM4EHPGDGAANPC1
SCHEMBL97828 0.78 CES2 (0.68) POLBKDM4EHPGDGAANPC1
SCHEMBL29362443 0.78 CES2 (0.68) POLBKDM4EHPGDGAANPC1
SCHEMBL30968201 0.78 CES2 (0.68) POLBKDM4EHPGDGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US claimed
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 US disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 EP disclosed
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 US disclosed
EP-1948589-A1 IONIC LIQUIDS Bioniqs Limited (GB) 2008-07-30 EP disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed
WO-2007036712-A1 IONIC LIQUIDS BIONIQS LIMITED (GB) 2007-04-05 WO disclosed