SCHEMBL29952804

SCHEMBL29952804

CSCOc1cccc(F)c1B(O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LIPE Q05469 1/20 0.33
ENPP2 Q13822 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ORAI1 Q96D31 1/20 0.30
ORAI2 Q96SN7 1/20 0.30
ORAI3 Q9BRQ5 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL954824 0.81 L3MBTL1 (0.50) L3MBTL1TDP1ALDH1A1
SCHEMBL29957026 0.81 L3MBTL1 (0.50) L3MBTL1TDP1ALDH1A1
SCHEMBL29952625 0.79 L3MBTL1 (0.44) L3MBTL1TDP1KDM4E
SCHEMBL28580785 0.79 PTPN1 (0.41) L3MBTL1TDP1LIPEENPP2ALDH1A1
SCHEMBL3316374 0.79 L3MBTL1 (0.44) L3MBTL1TDP1KDM4E
SCHEMBL12538526 0.77 L3MBTL1 (0.46) L3MBTL1TDP1KDM4E
SCHEMBL29954630 0.77 L3MBTL1 (0.46) L3MBTL1TDP1KDM4E
SCHEMBL29429847 0.75 ENPP2 (0.50) L3MBTL1TDP1ENPP2ALDH1A1ORAI1
SCHEMBL519872 0.75 ENPP2 (0.50) L3MBTL1TDP1ENPP2ALDH1A1ORAI1
SCHEMBL29954624 0.75 LIPE (0.33) LIPEENPP2

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