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Sugi Predict / Compounds / SCHEMBL21163548

SCHEMBL21163548

SCHEMBL21163548

CC1(C)CC(OC(=O)C2CCCC(C(=O)OC3CC(C)(C)N(O)C(C)(C)C3)C2C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ TSHR P16473 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL21163321 0.94 GAA (0.43) GAAHTTTSHRKMT2AL3MBTL1
SCHEMBL21162861 0.90 GAA (0.43) GAAHTTTSHRKMT2AL3MBTL1
SCHEMBL5181469 0.89 GAA (0.43) GAAHTTTSHRKMT2AL3MBTL1
SCHEMBL21163071 0.88 GAA (0.39) GAAHTT
SCHEMBL21163554 0.85 GAA (0.40) GAAHTT
SCHEMBL21163065 0.85 GAA (0.40) GAAHTT
SCHEMBL21163244 0.84 GAA (0.43) GAAHTTTSHRKMT2AL3MBTL1
SCHEMBL21162865 0.83 GAA (0.40) GAAHTTTSHRKMT2AL3MBTL1
SCHEMBL21163235 0.83 GAA (0.42) GAAHTTTSHRKMT2AL3MBTL1
SCHEMBL21163324 0.81 TSHR (0.32) GAAHTTTSHRKMT2A

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