SCHEMBL16200411

SCHEMBL16200411

CC1(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.43
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1L1 Q9UHC9 2/20 0.32
TP53 P04637 1/20 0.31
NAAA Q02083 2/20 0.31
TSHR P16473 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL18472697 0.93 NAAA (0.41) GAAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL317176 0.90 GAA (0.47) GAAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL39117 0.88 GAA (0.51) GAAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL17931127 0.88 GAA (0.35) GAAHTTSMN1; SMN2
SCHEMBL15961515 0.88 GAA (0.43) GAAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL4412312 0.85 TSHR (0.45) GAAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL13552035 0.84 GAA (0.43) GAAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL3630829 0.84 GAA (0.43) GAAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL316372 0.83 SMN1; SMN2 (0.47) GAAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL6299625 0.83 GAA (0.44) GAAHTTSMN1; SMN2KMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3271440-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2021-04-21 EP disclosed
EP-2725083-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2019-03-27 EP disclosed
EP-2722380-B1 Liquid crystal medium, method for the stabilisation thereof and liquid crystal display MERCK PATENT GMBH (DE) 2018-02-21 EP disclosed
EP-2855630-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed
WO-2015090565-A1 METHOD FOR CLEANING A LIQUID CRYSTAL MIXTURE MERCK PATENT GMBH (DE) 2015-06-25 WO disclosed
EP-2514800-B1 Compounds and liquid crystalline medium MERCK PATENT GMBH (DE) 2014-10-29 EP disclosed