SCHEMBL21162883

SCHEMBL21162883

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
ALOX15 P16050 1/20 0.35
POLB P06746 2/20 0.34
EZH2 Q15910 3/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
APLNR P35414 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
SCHEMBL21163044 0.88 GAA (0.47) GAAALOX15TSHRL3MBTL1HTT
SCHEMBL21163061 0.88 GAA (0.47) GAAALOX15TSHRHTTKMT2A
SCHEMBL21162844 0.88 GAA (0.47) GAAALOX15TSHRHTTKMT2A
SCHEMBL11495138 0.83 GAA (0.59) GAAALOX15POLBEZH2TSHR
SCHEMBL21163242 0.83 GAA (0.43) GAATSHRHTTKMT2A
SCHEMBL16702066 0.81 GAA (0.56) GAAPOLBEZH2TSHRATM
SCHEMBL674787 0.81 GAA (0.56) GAAPOLBEZH2TSHRATM
SCHEMBL134388 0.81 GAA (0.56) GAAPOLBEZH2TSHRATM
SCHEMBL27461056 0.80 GAA (0.56) GAAALOX15POLBEZH2TSHR
Acetic Acid SCHEMBL28041142 0.80 GAA (0.56) GAAPOLBEZH2TSHRATM

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