SCHEMBL19937345

SCHEMBL19937345

CC1(C)CC(NOCCOC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL15672481 0.84 GAA (0.41) GAAL3MBTL1HTT
SCHEMBL16518712 0.78 GAA (0.36) GAAL3MBTL1HTT
SCHEMBL4409167 0.78 GAA (0.36) GAAL3MBTL1HTT
SCHEMBL15672512 0.77 GAA (0.39) GAAKDM4EL3MBTL1HTT
SCHEMBL16790813 0.77 GAA (0.39) GAAL3MBTL1HTT
SCHEMBL19720362 0.75 GAA (0.38) GAAL3MBTL1HTT
SCHEMBL987059 0.75 GAA (0.38) GAAL3MBTL1HTT
SCHEMBL13554331 0.75 GAA (0.34) GAAL3MBTL1HTTKMT2A
SCHEMBL16869851 0.75 GAA (0.34) GAAL3MBTL1HTT
SCHEMBL19735148 0.73 SGPL1 (0.33) GAAL3MBTL1HTT

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
EP-2514800-B2 Compounds and liquid crystalline medium MERCK PATENT GMBH (DE) 2018-03-07 EP disclosed