SCHEMBL29955737

SCHEMBL29955737

Cc1cc(OC(C)C)cc(B(O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.36
CA2 P00918 2/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ALDH1A1 P00352 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
TSPO P30536 2/20 0.34
KAT6A Q92794 1/20 0.33
KMT2A Q03164 2/20 0.32
CA1 P00915 1/20 0.32
PARP10 Q53GL7 1/20 0.32
MAPT P10636 1/20 0.30
NLRP1 Q9C000 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
SCHEMBL29427099 0.83 ENPP2 (0.35) ENPP2CA2LPLLIPGALDH1A1
SCHEMBL25411153 0.83 ENPP2 (0.35) ENPP2CA2LPLLIPGALDH1A1
SCHEMBL7703491 0.79 KAT6A (0.36) ENPP2CA2ALDH1A1FFAR4GRIN2D
SCHEMBL17593048 0.79 FFAR4 (0.35) ENPP2CA2ALDH1A1FFAR4GRIN2D
SCHEMBL16687416 0.79 ENPP2 (0.35) ENPP2CA2ALDH1A1GRIN2DGRIN3B
SCHEMBL29955032 0.79 KAT6A (0.36) ENPP2CA2ALDH1A1FFAR4GRIN2D
SCHEMBL8284844 0.79 FFAR4 (0.42) ALDH1A1FFAR4GRIN2DGRIN3BGRIN1
SCHEMBL12285479 0.79 ALDH1A1 (0.42) ALDH1A1FFAR4GRIN2DGRIN3BGRIN1
SCHEMBL2842208 0.78 ENPP2 (0.53) ENPP2CA2LPLLIPGALDH1A1
SCHEMBL29952183 0.77 KMT2A (0.36) ENPP2CA2LPLLIPGALDH1A1

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