Sugi Predict

Sugi Predict / Compounds / SCHEMBL21163540

SCHEMBL21163540

SCHEMBL21163540

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 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 0.92 GAA (0.37) GAAHTTKDM4EL3MBTL1
SCHEMBL21163056 0.92 GAA (0.32) GAAHTT
SCHEMBL21162846 0.89 GAA (0.34) GAAHTTKDM4EL3MBTL1
SCHEMBL21163520 0.88 GAA (0.33) GAAHTTL3MBTL1
SCHEMBL21163387 0.87 GAA (0.39) GAAHTTKDM4EL3MBTL1
SCHEMBL21163043 0.86 GAA (0.34) GAAHTTKDM4EL3MBTL1
SCHEMBL21163200 0.84 GAA (0.34) GAAHTT
SCHEMBL21163225 0.81 GAA (0.31) GAAHTT
SCHEMBL21163539 0.81 GAA (0.31) GAAHTT
SCHEMBL21163035 0.80 CHRM2 (0.34) —

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