Monoethanolamine

Monoethanolamine

SCHEMBL7199812

CCCCCCCCCCC(O)C(=O)O.CNCCS(=O)(=O)O.NCCO.NCCO.NCCO

nearest known ligand 0.53

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
GPR84 Q9NQS5 7/20 0.53
FFAR1 O14842 1/20 0.53
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
RRM1 P23921 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
EPHX2 P34913 1/20 0.36
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35

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
SCHEMBL7203741 0.91 GPR84 (0.60) GPR84FFAR1S1PR2S1PR4S1PR1
SCHEMBL7196550 0.91 GPR84 (0.60) GPR84FFAR1S1PR2S1PR4S1PR1
Monoethanolamine SCHEMBL11778579 0.82 GPR84 (0.78) GPR84FFAR1MAPTLCKPPARD
Monoethanolamine SCHEMBL7203172 0.82 GPR84 (0.78) GPR84FFAR1MAPTLCKPPARD
Dodecanoate SCHEMBL7200093 0.82 GPR84 (0.47) GPR84FFAR1EPHX2MAPTPPARD
Ethylenediamine SCHEMBL11222862 0.76 GPR84 (0.84) GPR84FFAR1MAPTLCKPPARD
Ethylenediamine SCHEMBL11232097 0.76 GPR84 (0.84) GPR84FFAR1MAPTLCKPPARD
Sulfuric Acid SCHEMBL25342033 0.76 GPR84 (0.84) GPR84FFAR1S1PR2S1PR4S1PR1
Monoethanolamine SCHEMBL7199042 0.76 LMNA (0.48)
SCHEMBL28089828 0.74 GPR84 (0.81) GPR84FFAR1GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602848-B2 Contains alkali metal N-methyltaurate, alkali metal taurate or alkali metal hypotaurate salt of specific organic acid or organic alkali N-methyltaurate, organic alkali taurate or organic alkali hypotaurate salt of specific organic acid SHISEIDO COMPANY, LTD. (JP) 2003-08-05 US disclosed
US-20020103103-A1 Detergent composition SHISEIDO CO., LTD. 2002-08-01 US disclosed
US-6355608-B1 DETERGENT COMPOSITION COMPRISING AQUEOUS SOLUTION OF ALKALI METAL N-METHYLTAURATE SALT OF FATTY ACID, IN CONCENTRATION OF AT LEAST 50 MOLE PERCENT BASED ON TOTAL MOLES OF ALKALI METAL SALT OF FATTY ACID PRESENT SHISEIDO CO., LTD. (JP) 2002-03-12 US disclosed
US-6344435-B1 Detergent composition SHISEIDO CO., LTD. (JP) 2002-02-05 US disclosed