SCHEMBL7437883

SCHEMBL7437883

CC(C)(C)N(CC(O)C(O)CN(C(=O)O)C(C)(C)C)C(=O)O.C[C](C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9129576 0.96 MEN1 (0.34) MEN1HTTKMT2AL3MBTL1
SCHEMBL20974178 0.82 MEN1 (0.34) MEN1HTTKMT2AL3MBTL1
SCHEMBL1979048 0.80 MEN1 (0.33) MEN1HTTKMT2AL3MBTL1
SCHEMBL13731404 0.80 MEN1 (0.33) MEN1HTTKMT2AL3MBTL1
SCHEMBL1952760 0.80 MEN1 (0.33) MEN1HTTKMT2AL3MBTL1
SCHEMBL18625549 0.78 TSHR (0.37) MEN1HTTKMT2AL3MBTL1
SCHEMBL2788268 0.77 ACACB (0.33) MEN1HTTKMT2AL3MBTL1
SCHEMBL18340854 0.77 ACACB (0.33) MEN1HTTKMT2AL3MBTL1
SCHEMBL1980174 0.77 MEN1 (0.32) MEN1HTTKMT2AL3MBTL1
SCHEMBL1965298 0.76

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
WO-1991018866-A2 1,4-DIAMINO-2,3-DIHYDROXYBUTANES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-12 WO disclosed