SCHEMBL2137165

SCHEMBL2137165

COCCNN(NCCOC)C(=O)COC(=O)C(C)=CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.30

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
SCHEMBL2137138 1.00 MEN1 (0.33) MEN1KMT2ALMNA
SCHEMBL2137142 0.89 MEN1 (0.40) MEN1KMT2A
SCHEMBL242105 0.78 MEN1 (0.46) MEN1KMT2A
SCHEMBL2115863 0.78 MEN1 (0.46) MEN1KMT2A
SCHEMBL1970697 0.74 MEN1 (0.36) MEN1KMT2A
SCHEMBL2137284 0.74 MEN1 (0.36) MEN1KMT2A
SCHEMBL2113307 0.73 MEN1 (0.34) MEN1KMT2A
SCHEMBL1966960 0.73 MEN1 (0.34) MEN1KMT2A
SCHEMBL2113136 0.71 NPC1 (0.36) MEN1KMT2ALMNA
SCHEMBL241736 0.71 NPC1 (0.36) MEN1KMT2ALMNA

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-8148414-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2012-04-03 US claimed