Monoethanolamine

Monoethanolamine

SCHEMBL28348798

CCCCCCCCCCCCCCCC(=O)OCC.COS(=O)(=O)O.NCCO

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.53
▸ DGKA P23743 1/20 0.49
▸ PAM P19021 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PRKCA P17252 3/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ PRKCQ Q04759 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ DNM1 Q05193 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTR2C P28335 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL2942798 0.85 DGKA (0.61) CYP1A2DGKAPAMLMNAKDM4E
Sulfuric Acid SCHEMBL6368814 0.82 DGKA (0.64) CYP1A2DGKAPAMLMNAKDM4E
Sulfuric Acid SCHEMBL7924258 0.82 DGKA (0.64) CYP1A2DGKAPAMLMNAKDM4E
Monoethanolamine SCHEMBL5498813 0.81 DGKA (0.46) DGKAPAMLMNAKDM4EDUSP3
Sulfuric Acid SCHEMBL9776635 0.81 DGKA (0.62) CYP1A2DGKAPAMLMNAKDM4E
Sulfuric Acid SCHEMBL28105327 0.81 DGKA (0.62) CYP1A2DGKAPAMLMNAKDM4E
Octadecylamine SCHEMBL7643247 0.81 CYP1A2 (0.74) CYP1A2DGKAPAMLMNAKDM4E
Ethyl Tetradecanoate SCHEMBL31277626 0.81 DGKA (0.62) CYP1A2DGKAPAMLMNAKDM4E
Sulfuric Acid SCHEMBL669289 0.81 DGKA (0.62) CYP1A2DGKAPAMLMNAKDM4E
Ethyl Oleate SCHEMBL6072559 0.81 ALDH1A1 (0.61) CYP1A2DGKAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111471543-A Close-fitting clothes washing gel bead and preparation method thereof 福建恒安集团有限公司 2020-07-31 — — CN disclosed
CN-110725127-A Fabric softener 广州英锘科化工有限公司 2020-01-24 — — CN disclosed
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