SCHEMBL19720344

SCHEMBL19720344

CC1(C)CC(OCC(=O)CCC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 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
SCHEMBL317176 0.87 GAA (0.47) GAAHTTKMT2AMEN1SMN1; SMN2
SCHEMBL4412312 0.83 TSHR (0.45) GAAHTTKMT2AMEN1SMN1; SMN2
SCHEMBL19937451 0.82 GAA (0.39) GAAHTTKMT2AMEN1SMN1; SMN2
SCHEMBL3630829 0.81 GAA (0.43) GAAHTTKMT2AMEN1SMN1; SMN2
SCHEMBL13552035 0.81 GAA (0.43) GAAHTTKMT2AMEN1SMN1; SMN2
SCHEMBL15672524 0.81 GAA (0.39) GAAHTTKMT2AMEN1SMN1; SMN2
SCHEMBL316372 0.81 SMN1; SMN2 (0.47) GAAHTTKMT2AMEN1SMN1; SMN2
SCHEMBL6299625 0.81 GAA (0.44) GAAHTTKMT2AMEN1SMN1; SMN2
SCHEMBL20195373 0.81 GAA (0.40) GAAHTTKMT2AMEN1SMN1; SMN2
SCHEMBL19937354 0.80 GAA (0.42) GAAHTTKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3587536-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2021-03-24 EP disclosed
EP-3083883-B1 METHOD FOR CLEANING A LIQUID CRYSTAL MIXTURE MERCK PATENT GMBH (DE) 2018-07-11 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