SCHEMBL6765100

SCHEMBL6765100

CCCCCC(=O)OC(NC(=O)OCCCC)C(C)CO

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 4/20 0.46
PRKCA P17252 4/20 0.46
PRKCE Q02156 2/20 0.46
PRKCQ Q04759 2/20 0.46
PRKCD Q05655 2/20 0.46
ALDH1A1 P00352 1/20 0.42
DGKA P23743 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL5165596 0.83 MAPT (0.47) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL6765097 0.74 MAPT (0.55) MAPTLMNAPRKCAPRKCEPRKCQ
SCHEMBL9063089 0.73 EPHX1 (0.44) ALDH1A1
SCHEMBL6988966 0.73 EPHX1 (0.47) ALDH1A1
SCHEMBL1868926 0.73 EPHX1 (0.47) ALDH1A1
SCHEMBL10593737 0.73 MAPT (0.62) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL15589935 0.73 EPHX1 (0.47) ALDH1A1
SCHEMBL27756824 0.72 EPHX1 (0.50) MAPK1ALDH1A1
SCHEMBL6578955 0.71 DGKA (0.54) MAPTLMNAALDH1A1DGKA
SCHEMBL10592200 0.71 MAPT (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed