SCHEMBL16612232

SCHEMBL16612232

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.72
MAPK1 P28482 1/20 0.72
LMNA P02545 4/20 0.66
PRKCA P17252 5/20 0.62
PRKCE Q02156 2/20 0.62
PRKCQ Q04759 2/20 0.62
PRKCD Q05655 2/20 0.62
ALDH1A1 P00352 1/20 0.58
KDM4E B2RXH2 1/20 0.56
DUSP3 P51452 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
DGKA P23743 1/20 0.53

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
SCHEMBL16612763 1.00 MAPT (0.72) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL30640505 0.93 MAPT (0.64) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL29169816 0.90 PRKCA (0.69) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL29169818 0.90 PRKCA (0.69) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL16612104 0.90 PRKCA (0.68) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL30932019 0.89 MAPT (0.64) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL22579234 0.89 MAPT (0.64) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL15298584 0.88 MAPT (0.58) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL15368518 0.88 MAPT (0.58) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL31108940 0.88 MAPT (0.58) MAPTMAPK1LMNAPRKCAPRKCE

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-2857381-B1 METHOD FOR SELECTIVELY PREPARING MONO-, AND DI-ESTER OF ERYTHRITOL AND FATTY ACID WILMAR SHANGHAI BIOTECHNOLOGY RES & DEV CT CO LTD (CN) 2018-10-24 EP disclosed
US-9169191-B2 Method for selective preparation of fatty acid mono- and di-esters of erythritol WILMAR (SHANGHAI) BIOTECHNOLOGY RESEARCH & DEVELOPMENT CENTER CO., LTD (CN) 2015-10-27 US disclosed
US-20150119594-A1 Method For Selective Preparation Of Fatty Acid Mono- And Di-esters Of Erythritol WILMAR (SHANGHAI) BIOTECHNOLOGY RESEARCH & DEVELOPMENT CENTER CO., LTD (CN) 2015-04-30 US disclosed
EP-2857381-A1 METHOD FOR SELECTIVELY PREPARING MONO-, AND DIESTER OF ERYTHRITOL AND FATTY ACID Wilmar (shanghai) Biotechnology Research & Development Center Co., Ltd. (CN) 2015-04-08 EP disclosed