SCHEMBL28512384

SCHEMBL28512384

CC(C)(C)NC(=O)OCCOCc1ccc(COCCN)nc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
MAPT P10636 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
SCHEMBL28504576 0.87 GAA (0.34) AOC3GAAALDH1A1LMNANPC1
SCHEMBL28506992 0.84 OPRM1 (0.34) AOC3GAA
SCHEMBL21069508 0.82 LMNA (0.37) LMNA
SCHEMBL29612726 0.79 CA1 (0.43)
SCHEMBL21107305 0.79 CA1 (0.43)
SCHEMBL29104752 0.75 ACHE (0.32) ALDH1A1
SCHEMBL28656034 0.75 ACHE (0.32) ALDH1A1
SCHEMBL27972821 0.75 ACHE (0.32) ALDH1A1
SCHEMBL31425438 0.75 ACHE (0.32) ALDH1A1
SCHEMBL21071061 0.75 SMN1; SMN2 (0.39) LMNA

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
CN-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 CN disclosed