Monoethanolamine

Monoethanolamine

SCHEMBL29057722

CCCCCCCC/C=C\CCCCCCCCOCC(COP(=O)(O)O)OCCCCCCCC/C=C\CCCCCCCC.NCCO

nearest known ligand 0.72

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 15)

geneUniProtsupporting neighboursconfidence
▸ LPAR3 Q9UBY5 9/20 0.72
▸ LPAR1 Q92633 8/20 0.72
▸ LPAR2 Q9HBW0 2/20 0.54
▸ LPAR5 Q9H1C0 1/20 0.52
▸ S1PR1 P21453 3/20 0.51
▸ ENPP2 Q13822 1/20 0.51
▸ P2RY10 O00398 2/20 0.49
▸ S1PR4 O95977 2/20 0.49
▸ S1PR3 Q99500 2/20 0.49
▸ S1PR5 Q9H228 2/20 0.49
▸ S1PR2 O95136 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ TSPO P30536 1/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49

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
Monoethanolamine SCHEMBL27549117 0.93 LPAR3 (0.84) LPAR3LPAR1LPAR2LPAR5
SCHEMBL23148274 0.93 LPAR3 (0.84) LPAR3LPAR1LPAR2LPAR5S1PR1
Monoethanolamine SCHEMBL27411197 0.93 LPAR3 (0.84) LPAR3LPAR1LPAR2LPAR5
Monoethanolamine SCHEMBL27885916 0.92 LPAR1 (0.59) LPAR3LPAR1LPAR2LPAR5S1PR1
Monoethanolamine SCHEMBL27635540 0.92 LPAR3 (0.81) LPAR3LPAR1LPAR2LPAR5
SCHEMBL11325872 0.89 LPAR3 (0.78) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL11325869 0.89 LPAR3 (0.78) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL31281823 0.88 LPAR3 (0.75) LPAR3LPAR1LPAR2LPAR5S1PR1
SCHEMBL446878 0.86 PLA2G2C (0.65) LPAR3LPAR1LPAR2P2RY10
SCHEMBL22556278 0.86 PLA2G2C (0.65) LPAR3LPAR1LPAR2P2RY10

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-116997342-A Preventive or therapeutic agent for benign adult familial myoclonus epilepsy 国立研究开发法人理化学研究所 2023-11-03 — — CN disclosed
CN-116438298-A Large-scale synthesis of messenger RNA 翻译生物公司 2023-07-14 — — CN disclosed
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