SCHEMBL29953894

SCHEMBL29953894

CCc1cc(B(O)O)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.47
LIPG Q9Y5X9 4/20 0.47
TTR P02766 3/20 0.46
ENPP2 Q13822 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
IDO1 P14902 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL2413286 1.00 LPL (0.47) LPLLIPGTTRENPP2KDM4E
SCHEMBL18015403 0.82 TTR (0.47) LPLLIPGTTRENPP2CA2
SCHEMBL3790779 0.81 LPL (0.52) LPLLIPGENPP2CA2CA1
SCHEMBL16702930 0.79 TTR (0.42) TTRENPP2CA2
SCHEMBL16576629 0.79 TTR (0.42) LPLLIPGTTRENPP2KDM4E
SCHEMBL21501435 0.79 ENPP2 (0.46) LPLLIPGTTRENPP2ALDH1A1
SCHEMBL21179834 0.79 HTT (0.43) ALDH1A1L3MBTL1
SCHEMBL31035574 0.78 TTR (0.44) LPLLIPGTTRENPP2CA2
SCHEMBL21179848 0.78 L3MBTL1 (0.42) TTRALDH1A1L3MBTL1
SCHEMBL22683555 0.78 ESR1 (0.50) LPLLIPGENPP2CA2CA1

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