Monoethanolamine

Monoethanolamine

SCHEMBL1833522

NCCO.NCCO.NCCO.NCCO.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.44

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
CYP1A2 P05177 1/20 0.44
HMGB1 P09429 1/20 0.40
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
ESR2 Q92731 1/20 0.38
PTPN1 P18031 1/20 0.38
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
TSHR P16473 3/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36

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 SCHEMBL9725105 0.88 CYP1A2 (0.50) CYP1A2HMGB1ALDH1A1ALOX15KDM4E
Monoethanolamine SCHEMBL1834713 0.87 HMGB1 (0.50) HMGB1ALDH1A1ALOX15KDM4ETSHR
SCHEMBL22989 0.83 CYP1A2 (0.61) CYP1A2HMGB1ALDH1A1ALOX15KDM4E
SCHEMBL29445717 0.83 CYP1A2 (0.61) CYP1A2HMGB1ALDH1A1ALOX15KDM4E
SCHEMBL1988762 0.83 CYP1A2 (0.61) CYP1A2HMGB1ALDH1A1ALOX15KDM4E
SCHEMBL5550251 0.80 CYP1A2 (0.58) CYP1A2HMGB1ALDH1A1ALOX15KDM4E
Hydrochloric Acid SCHEMBL18124413 0.80 CYP1A2 (0.58) CYP1A2HMGB1ALDH1A1ALOX15KDM4E
Hydrochloric Acid SCHEMBL10351177 0.80 CYP1A2 (0.58) CYP1A2HMGB1ALDH1A1ALOX15KDM4E
Mellitic Acid SCHEMBL2426221 0.80 CYP1A2 (0.58) CYP1A2HMGB1ALDH1A1ALOX15KDM4E
Ammonia Solution, Strong SCHEMBL5023112 0.80 CYP1A2 (0.58) CYP1A2HMGB1ALDH1A1ALOX15KDM4E

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