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SCHEMBL21163248

SCHEMBL21163248

CC(=O)N1C(C)(C)CC(OC2CC(OC3CC(C)(C)N(C(C)=O)C(C)(C)C3)C(OC3CC(C)(C)N(C(C)=O)C(C)(C)C3)C2)CC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ESR1 P03372 1/20 0.30
▸ TSHR P16473 2/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ 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
SCHEMBL21163330 0.83 TSHR (0.31) GAAHTTTSHR
SCHEMBL21163251 0.80 CHRM2 (0.39) —
SCHEMBL21163508 0.76 — —
SCHEMBL11311068 0.75 ESR1 (0.35) GAAHTTESR1TSHRKMT2A
SCHEMBL11526440 0.75 ESR1 (0.32) GAAHTTESR1TSHRKMT2A
SCHEMBL313673 0.74 KMT2A (0.49) GAAHTTESR1TSHRKMT2A
Hydrochloric Acid SCHEMBL9337408 0.74 KMT2A (0.36) GAAHTTESR1TSHRKMT2A
SCHEMBL11284335 0.71 ESR1 (0.32) ESR1TSHRKMT2ALMNAL3MBTL1
SCHEMBL14394447 0.71 ESR1 (0.32) ESR1TSHRKMT2ALMNAL3MBTL1
SCHEMBL11526815 0.71 ESR1 (0.32) ESR1TSHRKMT2ALMNAL3MBTL1

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