SCHEMBL2137142

SCHEMBL2137142

COCCNN(NCCOC)C(=O)COC(=O)/C=C(\C)C(=O)OCC(=O)N(NCCOC)NCCOC

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2137165 0.89 MEN1 (0.33) MEN1KMT2A
SCHEMBL2137138 0.89 MEN1 (0.33) MEN1KMT2A
SCHEMBL242106 0.78 MEN1 (0.56) MEN1KMT2A
SCHEMBL1970699 0.74 MEN1 (0.46) MEN1KMT2A
SCHEMBL1966962 0.73 MEN1 (0.43) MEN1KMT2A
SCHEMBL241737 0.71 MEN1 (0.43) MEN1KMT2A
SCHEMBL29109723 0.69 KMT2A (0.37) MEN1KMT2A
SCHEMBL244488 0.69 MEN1 (0.39) MEN1KMT2A
SCHEMBL2868002 0.68 MEN1 (0.36) MEN1KMT2A
SCHEMBL1964223 0.67 POLB (0.32) MEN1KMT2A

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