SCHEMBL1833003

SCHEMBL1833003

CNCCO.O=C(O)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 2/20 0.50
PTPN1 P18031 1/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ALB P02768 1/20 0.44
POLB P06746 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
ALDH1A1 P00352 6/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 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
Phthalic Acid SCHEMBL1833083 0.88 ALDH1A1 (0.56) ALDH1A1ALOX15SMN1; SMN2
Diethanolamine SCHEMBL1836229 0.86 RAB9A (0.53) GAARAB9ANPC1PTPN1ERCC5
Salicylic Acid SCHEMBL1835282 0.81 ALDH1A1 (0.62) GAANPC1ALDH1A1ALOX12ALOX15
Ethylene Glycol SCHEMBL2168458 0.81 GAA (0.53) GAARAB9ANPC1PTPN1ERCC5
Alcohol SCHEMBL27662236 0.80 GAA (0.55) GAARAB9ANPC1PTPN1ERCC5
Monoethanolamine SCHEMBL1832986 0.80 CES2 (0.54) GAARAB9ANPC1PTPN1ERCC5
SCHEMBL1836779 0.80 ALDH1A1 (0.63) RAB9ANPC1ERCC5FEN1CES2
Methyl Alcohol SCHEMBL20994106 0.80 CES2 (0.62) GAARAB9ANPC1PTPN1ERCC5
Fluoromethane SCHEMBL28310900 0.80 CES2 (0.62) GAARAB9ANPC1PTPN1ERCC5
SCHEMBL97828 0.80 CES2 (0.68) GAARAB9ANPC1PTPN1ERCC5

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 10 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
CN-101316810-A Ionic liquids BIONIQS LTD (GB) 2008-12-03 CN disclosed
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 US disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed