SCHEMBL23544352

SCHEMBL23544352

CC(C)(C)OC(=O)CCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
AAK1 Q2M2I8 2/20 0.42
LIPG Q9Y5X9 5/20 0.39
ROCK1 Q13464 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
HIF1A Q16665 3/20 0.38
DGAT1 O75907 1/20 0.38
LPL P06858 4/20 0.36
F2 P00734 2/20 0.35
F11 P03951 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL28950591 0.84 CXCR2 (0.40) PRMT5WDR77AAK1LIPGDGAT1
SCHEMBL13239269 0.81 LIPG (0.54) PRMT5WDR77AAK1LIPGDGAT1
SCHEMBL1704489 0.80 LIPG (0.54) PRMT5WDR77AAK1LIPGROCK1
SCHEMBL26372889 0.78 AAK1 (0.42) PRMT5WDR77AAK1LIPGROCK1
SCHEMBL12068164 0.77 ROCK1 (0.56) PRMT5WDR77AAK1LIPGROCK1
SCHEMBL21733074 0.77
SCHEMBL18250095 0.76 MTNR1A (0.46) PRMT5WDR77AAK1ROCK1BACE1
SCHEMBL16426147 0.76 PRMT5 (0.43) PRMT5WDR77AAK1LIPGROCK1
SCHEMBL21732896 0.75 AAK1 (0.46) PRMT5WDR77AAK1ROCK1BACE1
SCHEMBL21732909 0.75 AAK1 (0.46) PRMT5WDR77AAK1ROCK1BACE1

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
EP-3838890-B1 METHOD FOR PREPARING 18F-BPA AND INTERMEDIATE NEUBORON MEDTECH LTD (CN) 2023-10-04 EP disclosed
EP-3838890-A1 METHOD FOR PREPARING 18F-BPA AND INTERMEDIATE Neuboron Medtech Ltd. (CN) 2021-06-23 EP disclosed