SCHEMBL28832392

SCHEMBL28832392

CC(C)(C)OC(=O)NC1COc2cc(B3OC(C)(C)C(C)(C)O3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
AAK1 Q2M2I8 2/20 0.43
USP30 Q70CQ3 1/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
GAA P10253 1/20 0.39
SIRT2 Q8IXJ6 3/20 0.38
SIRT1 Q96EB6 2/20 0.38
EPHX2 P34913 1/20 0.36
HIF1A Q16665 2/20 0.36
DGAT1 O75907 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
LIPG Q9Y5X9 1/20 0.34

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
SCHEMBL31704275 1.00 PRMT5 (0.44) PRMT5WDR77AAK1USP30BACE1
SCHEMBL24339668 0.91 AAK1 (0.42) PRMT5WDR77AAK1USP30BACE1
SCHEMBL18179491 0.89 PRMT5 (0.43) PRMT5WDR77AAK1USP30BACE1
SCHEMBL29977526 0.88 PRMT5 (0.42) PRMT5WDR77AAK1USP30BACE1
SCHEMBL24703836 0.88 PRMT5 (0.42) PRMT5WDR77AAK1USP30BACE1
SCHEMBL16809887 0.84 PRMT5 (0.42) PRMT5WDR77AAK1USP30BACE1
SCHEMBL29918701 0.84 PRMT5 (0.42) PRMT5WDR77AAK1USP30BACE1
SCHEMBL29279177 0.84 PRMT5 (0.42) PRMT5WDR77AAK1USP30BACE1
SCHEMBL30331654 0.82 PRMT5 (0.41) PRMT5WDR77
SCHEMBL31645840 0.82 PRMT5 (0.42) PRMT5WDR77AAK1USP30BACE1

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-115003671-A JNK inhibitors, pharmaceutical compositions and uses thereof 武汉朗来科技发展有限公司 2022-09-02 CN disclosed