SCHEMBL20113386

SCHEMBL20113386

CN1C(C)(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)[C@@H](CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.31
TSHR P16473 4/20 0.31
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL30795 1.00 CYP2D6 (0.35) CYP2D6LMNAKMT2AGAAMEN1
SCHEMBL14274507 0.94 CYP2D6 (0.33) CYP2D6LMNAKMT2AGAAMEN1
SCHEMBL13842572 0.94 CYP2D6 (0.33) CYP2D6LMNA
SCHEMBL23846261 0.94 GAA (0.38) CYP2D6LMNAGAAHTT
SCHEMBL18072166 0.94 GAA (0.38) CYP2D6LMNAGAAHTT
SCHEMBL14598836 0.92 TP53 (0.33) CYP2D6LMNAKMT2AGAAMEN1
SCHEMBL12890874 0.92 GAA (0.38) CYP2D6LMNAGAA
SCHEMBL15773586 0.92 GAA (0.38) CYP2D6LMNAGAA
SCHEMBL29978895 0.92 GAA (0.38) CYP2D6LMNAGAA
SCHEMBL26212910 0.92 GAA (0.38) CYP2D6LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3950885-A1 FLAME-RETARDANT COMPOSITION AND FLAME-RETARDANT SYNTHETIC RESIN COMPOSITION ADEKA CORPORATION (JP) 2022-02-09 EP disclosed
WO-2020116555-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT DIC株式会社 2020-06-11 WO disclosed
WO-2019078016-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC株式会社 2019-04-25 WO disclosed
EP-2753675-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2018-05-02 EP disclosed