SCHEMBL21163304

SCHEMBL21163304

CC1(C)CC(C(=O)OC2CC(OC(=O)C3CC(C)(C)NC(C)(C)C3)C(OC(=O)C3CC(C)(C)NC(C)(C)C3)C2)CC(C)(C)N1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
EZH2 Q15910 3/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
GLA P06280 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
SCHEMBL21163200 0.90 GAA (0.34) GAA
SCHEMBL21163056 0.83 GAA (0.32) GAA
SCHEMBL21162835 0.83 GAA (0.36) GAAL3MBTL1ATMCHRM2CHRM4
SCHEMBL21162851 0.81 GAA (0.36) GAAL3MBTL1
SCHEMBL21163547 0.81 GAA (0.36) GAAL3MBTL1
SCHEMBL11445877 0.81 GAA (0.41) GAAL3MBTL1POLBCHRM2CHRM4
SCHEMBL13949106 0.80 GAA (0.50) GAAL3MBTL1ATMPOLBMEN1
SCHEMBL18931256 0.80 GAA (0.50) GAAL3MBTL1ATMPOLBMEN1
SCHEMBL21163230 0.79 GAA (0.36) GAAL3MBTL1ATMCHRM2CHRM4
SCHEMBL21163409 0.79 GAA (0.36) GAAL3MBTL1ATMCHRM2CHRM4

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