Monoethanolamine

Monoethanolamine

SCHEMBL1834713

NCCO.NCCO.NCCO.O=C(O)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MPL

The experimentally established mechanism targets of Monoethanolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 2/20 0.50
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 1/20 0.46
ALB P02768 1/20 0.44
G6PD P11413 1/20 0.44
CASP7 P55210 1/20 0.44
CASP6 P55212 1/20 0.44
MMP2 P08253 1/20 0.44
AKR1C3 P42330 1/20 0.42
KDM4E B2RXH2 3/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
HNF4A P41235 1/20 0.41
FOLH1 Q04609 1/20 0.41
TSHR P16473 1/20 0.41
NR4A1 P22736 1/20 0.41

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
Ethylene Glycol SCHEMBL9725011 0.89 ALDH1A1 (0.52) HMGB1ALDH1A1ALOX15ALBG6PD
Monoethanolamine SCHEMBL1833522 0.87 CYP1A2 (0.44) HMGB1ALDH1A1ALOX15CASP6AKR1C3
Phthalic Acid SCHEMBL1833350 0.85 ALDH1A1 (0.67) HMGB1ALDH1A1ALOX15AKR1C3KDM4E
Phthalic Acid SCHEMBL6931442 0.85 ALDH1A1 (0.67) HMGB1ALDH1A1ALOX15AKR1C3KDM4E
SCHEMBL23288 0.84 ALDH1A1 (0.63) HMGB1ALDH1A1ALOX15ALBG6PD
SCHEMBL711798 0.84 ALDH1A1 (0.63) HMGB1ALDH1A1ALOX15ALBG6PD
Alcohol SCHEMBL28252328 0.83 ALDH1A1 (0.50) HMGB1ALDH1A1ALOX15AKR1C3KDM4E
SCHEMBL723062 0.82 ALDH1A1 (0.60) HMGB1ALDH1A1ALOX15ALBG6PD
SCHEMBL1535448 0.82 ALDH1A1 (0.60) HMGB1ALDH1A1ALOX15ALBG6PD
Hydrochloric Acid SCHEMBL1564027 0.82 ALDH1A1 (0.60) HMGB1ALDH1A1ALOX15ALBG6PD

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
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-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed