SCHEMBL21163241

SCHEMBL21163241

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
CYP2D6 P10635 1/20 0.34
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.30
APLNR P35414 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM3 P20309 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
SCHEMBL21162858 0.93 GAA (0.43) GAAHTTKMT2ATSHRL3MBTL1
SCHEMBL21163044 0.90 GAA (0.47) GAAHTTKMT2ATSHRL3MBTL1
SCHEMBL21163242 0.85 GAA (0.43) GAAHTTKMT2ATSHRCYP2D6
SCHEMBL21163552 0.85 TSHR (0.38) GAAHTTKMT2ATSHRALDH1A1
SCHEMBL22127756 0.84 GAA (0.49) GAAHTTKMT2ATSHRL3MBTL1
SCHEMBL7526296 0.82 GAA (0.50) GAAHTTKMT2ATSHRL3MBTL1
SCHEMBL3765199 0.82 GAA (0.50) GAAHTTKMT2ATSHRL3MBTL1
Acetic Acid SCHEMBL13732260 0.81 KMT2A (0.51) GAAHTTKMT2ATSHRL3MBTL1
SCHEMBL30910017 0.81 GAA (0.47) GAAHTTKMT2ATSHRL3MBTL1
SCHEMBL241284 0.80 KMT2A (0.50) GAAHTTKMT2ATSHRL3MBTL1

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