SCHEMBL21163387

SCHEMBL21163387

CC1(C)CC(C(=O)OC2CC(OC(=O)C3CC(C)(C)N(O)C(C)(C)C3)CC(OC(=O)C3CC(C)(C)N(O)C(C)(C)C3)C2)CC(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
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
SCHEMBL21163380 0.91 GAA (0.37) GAAHTTL3MBTL1CYP2D6LMNA
SCHEMBL21163547 0.91 GAA (0.36) GAAHTTL3MBTL1
SCHEMBL21162851 0.91 GAA (0.36) GAAHTTL3MBTL1
SCHEMBL21163540 0.87 GAA (0.35) GAAHTTL3MBTL1KDM4E
SCHEMBL21163573 0.85 GAA (0.46) GAAHTTL3MBTL1CYP2D6LMNA
SCHEMBL21163200 0.83 GAA (0.34) GAAHTT
SCHEMBL21162877 0.82 GAA (0.43) GAAHTTL3MBTL1CYP2D6LMNA
SCHEMBL21163426 0.82 TSHR (0.33) ALDH1A1KMT2A
SCHEMBL1535623 0.81 GAA (0.46) GAAHTTL3MBTL1CYP2D6LMNA
SCHEMBL7508350 0.81 GAA (0.46) GAAHTTL3MBTL1CYP2D6LMNA

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