SCHEMBL29957693

SCHEMBL29957693

CC(C)Oc1cc(F)c(F)cc1B(O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
PPOX P50336 1/20 0.31
RORC P51449 1/20 0.30
CSNK2A1 P68400 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ACHE P22303 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
SCHEMBL9893864 1.00 TLR8 (0.33) TLR8ALOX5APFEN1IRAK4KCNQ3
SCHEMBL9945941 0.88 TLR8 (0.31) TLR8ALOX5APFEN1IRAK4KCNQ3
SCHEMBL264985 0.79 ACLY (0.39) IRAK4KCNQ3KCNQ2RORCCSNK2A1
SCHEMBL1756413 0.78 ENPP2 (0.45)
SCHEMBL29954382 0.78 ENPP2 (0.45)
SCHEMBL11916150 0.78 KCNQ3 (0.34) TLR8ALOX5APFEN1IRAK4KCNQ3
SCHEMBL29956725 0.76 ENPP2 (0.39) IRAK4ALDH1A1ACHE
SCHEMBL2462591 0.76 ENPP2 (0.39) IRAK4ALDH1A1ACHE
SCHEMBL17008062 0.76 DHODH (0.36)
SCHEMBL17008063 0.76 DHODH (0.36)

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