SCHEMBL29952834

SCHEMBL29952834

CCOCc1ccccc1B(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.52
LIPE Q05469 1/20 0.42
ENPP2 Q13822 2/20 0.41
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
CXCR2 P25025 1/20 0.34
PCSK9 Q8NBP7 1/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL12544470 1.00 LIPG (0.52) LIPGLIPEENPP2ORAI1ORAI2
SCHEMBL12314403 0.84 ORAI1 (0.42) LIPGLIPEENPP2ORAI1ORAI2
SCHEMBL595045 0.81 LIPG (0.44) LIPGLIPEENPP2ORAI1ORAI2
SCHEMBL29951742 0.80 LIPG (0.62) LIPGMAPTKDM4EPOLBMEN1
SCHEMBL648250 0.80 IDO1 (0.39) MAPTL3MBTL1KDM4EPOLBMEN1
SCHEMBL24107427 0.79 LIPG (0.43) LIPGLIPEENPP2ORAI1ORAI2
SCHEMBL29952337 0.79 IDO1 (0.48) LIPGLIPEENPP2MAPTKDM4E
SCHEMBL520432 0.79 LIPG (0.50) LIPGLIPEENPP2ORAI1ORAI2
SCHEMBL29504613 0.79 LIPG (0.50) LIPGLIPEENPP2ORAI1ORAI2
SCHEMBL7418607 0.78 LIPG (0.48) LIPGLIPEENPP2ORAI1ORAI2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed