SCHEMBL1836779

SCHEMBL1836779

CNCCO.O=C(O)c1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 3/20 0.46
POLB P06746 3/20 0.46
TSHR P16473 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
MT-CO2 P00403 1/20 0.45
LMNA P02545 1/20 0.45
TTR P02766 1/20 0.45
PLA2G1B P04054 1/20 0.45
CYP1A2 P05177 1/20 0.45
PGR P06401 1/20 0.45
CYP3A4 P08684 1/20 0.45

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) ALDH1A1HPGDAKR1C3KMT2ASMN1; SMN2
Diethanolamine SCHEMBL1832455 0.86 ALDH1A1 (0.68) ALDH1A1ERCC5FEN1NPC1RAB9A
Dimethylamine SCHEMBL31430116 0.84 ALDH1A1 (0.83) ALDH1A1ERCC5FEN1NPC1RAB9A
Salicylic Acid SCHEMBL1835282 0.81 ALDH1A1 (0.62) ALDH1A1NPC1HPGDTSHRMAPT
Alcohol SCHEMBL27681961 0.80 ALDH1A1 (0.76) ALDH1A1ERCC5FEN1NPC1RAB9A
SCHEMBL1833003 0.80 GAA (0.51) ALDH1A1ERCC5FEN1NPC1RAB9A
Methyl Alcohol SCHEMBL28023109 0.80 ALDH1A1 (0.91) ALDH1A1ERCC5FEN1HPGDPOLB
SCHEMBL367 0.80 ALDH1A1 (1.00) ALDH1A1ERCC5FEN1HPGDPOLB
SCHEMBL29369803 0.80 ALDH1A1 (1.00) ALDH1A1ERCC5FEN1HPGDPOLB
SCHEMBL29004189 0.80 ALDH1A1 (1.00) ALDH1A1ERCC5FEN1HPGDPOLB

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