Monoethanolamine

Monoethanolamine

SCHEMBL15918951

CC1CCC(C(=O)NCCc2ccccn2)(C(C)C)CC1.NCCO

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 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.42
ATM Q13315 1/20 0.42
FPR3 P25089 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
NR3C2 P08235 1/20 0.41
OGA O60502 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3614438 0.94 HSD11B1 (0.56) HSD11B1TAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL15649538 0.82 HSD11B1 (0.54) HSD11B1TAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL29112390 0.72 HSD11B1 (0.54) HSD11B1TAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL24540861 0.72 HSD11B1 (0.54) HSD11B1TAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL29112392 0.72 HSD11B1 (0.54) HSD11B1TAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL29141636 0.71 HSD11B1 (0.52) HSD11B1TAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL10558453 0.69 HTT (0.62) TAS1R3TAS1R1ALDH1A1HTTATM
SCHEMBL10311684 0.68 HTT (0.64) HSD11B1TAS1R3TAS1R1ALDH1A1HTT
SCHEMBL20930005 0.68 HSD11B1 (0.48) HSD11B1TAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL20930285 0.68 HSD11B1 (0.48) HSD11B1TAS1R3TAS1R1ALDH1A1TSHR

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
US-9023776-B2 Rinse-off compositions comprising lactoyl ethanolamine and a menthanecarboxamide compound GIVAUDAN S.A. (CH) 2015-05-05 US disclosed
US-20140221265-A1 RINSE-OFF COMPOSITIONS GIVAUDAN S.A. (CH) 2014-08-07 US disclosed