SCHEMBL19720348

SCHEMBL19720348

CC1(C)CC(OC(=O)C(O)(O)C(O)(O)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 1/20 0.32
CYP2D6 P10635 1/20 0.31
LMNA P02545 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
SCHEMBL19937286 0.92 GAA (0.41) GAAHTTL3MBTL1TSHRKMT2A
SCHEMBL19884620 0.89 GAA (0.41) GAAHTTL3MBTL1TSHRKMT2A
SCHEMBL10222459 0.85 GAA (0.46) GAAHTTL3MBTL1TSHRKMT2A
SCHEMBL20194436 0.84 GAA (0.44) GAAHTTL3MBTL1TSHRKMT2A
SCHEMBL26083013 0.84 GAA (0.44) GAAHTTL3MBTL1TSHRKMT2A
SCHEMBL26083011 0.82 GAA (0.43) GAAHTTL3MBTL1TSHRKMT2A
SCHEMBL7506442 0.81 GAA (0.43) GAAHTTL3MBTL1TSHRKMT2A
SCHEMBL985332 0.80 GAA (0.40) GAAHTTL3MBTL1TSHRKMT2A
SCHEMBL3765199 0.80 GAA (0.50) GAAHTTL3MBTL1TSHRKMT2A
SCHEMBL7526296 0.80 GAA (0.50) GAAHTTL3MBTL1TSHRKMT2A

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-2855630-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed