SCHEMBL24158596

SCHEMBL24158596

NC(=O)COC1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
SPHK1 Q9NYA1 1/20 0.35
AOC2 O75106 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ELANE P08246 1/20 0.33
PDE4D Q08499 2/20 0.33
ATF4 P18848 1/20 0.32
KAT2B Q92831 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
CYP11B2 P19099 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
LTA4H P09960 1/20 0.31
CETP P11597 1/20 0.31
DCPS Q96C86 1/20 0.31
HTT P42858 1/20 0.30
PIK3CD O00329 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
SCHEMBL28031309 0.84
SCHEMBL8893566 0.81 PRMT5 (0.34) SPHK1AOC2PRMT5WDR77ELANE
SCHEMBL360662 0.81 ITGB3 (0.41) SPHK1AOC2PRMT5WDR77ELANE
SCHEMBL12599205 0.80
SCHEMBL6120762 0.80 HTT (0.40) ATF4HTT
SCHEMBL2258293 0.80 SPHK1 (0.39) KDM4ESPHK1AOC2ELANEPDE4D
SCHEMBL23386552 0.79 PIK3CD (0.37) SPHK1AOC2PRMT5WDR77ELANE
SCHEMBL6206588 0.79 SPHK1 (0.44) KDM4ESPHK1ELANEPDE4DCYP11B2
SCHEMBL21617359 0.79 PRMT5 (0.39) KDM4ESPHK1AOC2PRMT5WDR77
SCHEMBL12599011 0.78 HTT (0.39) ATF4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed