SCHEMBL21163044

SCHEMBL21163044

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 2/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2D6 P10635 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
SCHEMBL21163242 0.94 GAA (0.43) GAAHTTTSHRKMT2ACYP2D6
SCHEMBL21163241 0.90 GAA (0.47) GAAHTTTSHRKMT2AALOX15
SCHEMBL21162883 0.88 GAA (0.56) GAAHTTTSHRKMT2AALOX15
SCHEMBL21163061 0.88 GAA (0.47) GAAHTTTSHRKMT2AALOX15
SCHEMBL21162844 0.88 GAA (0.47) GAAHTTTSHRKMT2AALOX15
SCHEMBL21162858 0.84 GAA (0.43) GAAHTTTSHRKMT2AALOX15
SCHEMBL16200411 0.81 GAA (0.43) GAAHTTTSHRKMT2AALDH1A1
SCHEMBL21163058 0.80 GAA (0.42) GAAHTTTSHRKMT2AL3MBTL1
SCHEMBL21163571 0.80 GAA (0.42) GAAHTTTSHRKMT2AL3MBTL1
SCHEMBL10972642 0.78 GAA (0.38) GAAHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975305-B2 Piperidine derivative, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2021-04-13 US disclosed
US-20190194542-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2019-06-27 US disclosed