Monoethanolamine

Monoethanolamine

SCHEMBL20360727

C[N+](C)(C)CC(=O)Cl.NCCO.NCCO

nearest known ligand 0.40

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 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
APEX1 P27695 1/20 0.39
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
SLC5A7 Q9GZV3 1/20 0.31

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
SCHEMBL138865 0.84
Ammonia Solution, Strong SCHEMBL28052971 0.82
Hydrochloric Acid SCHEMBL5558203 0.82
Glycinebetaine SCHEMBL28177181 0.76 TSHR (0.40) TSHRALDH1A1LMNAAPEX1MEN1
Monoethanolamine SCHEMBL28273650 0.73
Monoethanolamine SCHEMBL21465320 0.71 TSHR (0.50) TSHRALDH1A1
Monoethanolamine SCHEMBL5985807 0.69
Monoethanolamine SCHEMBL28934046 0.67 ALDH1A1 (0.44) TSHRALDH1A1
Acetone SCHEMBL10591911 0.67 ALDH1A1 (0.61) TSHRALDH1A1LMNAKMT2A
Tetramethylammonium Ion SCHEMBL28132458 0.67 ALDH1A1 (0.61) TSHRALDH1A1LMNAMEN1KMT2A

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
EP-3565530-A1 TREATMENT OF PANCREATIC CANCER Syncore Biotechnology Co., Ltd. (TW) 2019-11-13 EP claimed
WO-2018127082-A1 TREATMENT OF PANCREATIC CANCER SYNCORE BIOTECHNOLOGY CO., LTD. (CN) 2018-07-12 WO claimed
EP-3565530-A1 TREATMENT OF PANCREATIC CANCER Syncore Biotechnology Co., Ltd. (TW) 2019-11-13 EP disclosed
WO-2018127082-A1 TREATMENT OF PANCREATIC CANCER SYNCORE BIOTECHNOLOGY CO., LTD. (CN) 2018-07-12 WO disclosed