SCHEMBL21163244

SCHEMBL21163244

CC1(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)N(O)C(C)(C)C3)C(C(=O)OC3CC(C)(C)N(O)C(C)(C)C3)C2C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ESR1 P03372 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 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
SCHEMBL21163235 0.98 GAA (0.42) GAAHTTL3MBTL1TSHRKMT2A
SCHEMBL21162861 0.93 GAA (0.43) GAAHTTL3MBTL1TSHRKMT2A
SCHEMBL21163556 0.93 GAA (0.39) GAAHTTCYP2D6LMNA
SCHEMBL21163549 0.91 GAA (0.40) GAAHTT
SCHEMBL21163243 0.91 GAA (0.40) GAAHTT
SCHEMBL21163574 0.90 GAA (0.39) GAAHTT
SCHEMBL21163566 0.90 GAA (0.39) GAAHTT
SCHEMBL21163321 0.90 GAA (0.43) GAAHTTL3MBTL1TSHRKMT2A
SCHEMBL21162865 0.89 GAA (0.40) GAAHTTL3MBTL1TSHRKMT2A
SCHEMBL21162867 0.87 TSHR (0.32) GAAHTTTSHRKMT2ACYP2D6

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