SCHEMBL29953586

SCHEMBL29953586

CC(C)Oc1ccc(F)c(B(O)O)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.36
TRPV3 Q8NET8 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
RORC P51449 1/20 0.30
ACLY P53396 1/20 0.30
CSNK2A1 P68400 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ACHE P22303 1/20 0.30
VEGFA P15692 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
SCHEMBL1064844 1.00 FFAR4 (0.36) FFAR4TRPV3IRAK4KCNQ3KCNQ2
SCHEMBL9894129 0.83 IRAK4 (0.30) FFAR4IRAK4ALDH1A1
SCHEMBL16687411 0.83 TRPV3 (0.35) FFAR4TRPV3IRAK4KCNQ3KCNQ2
SCHEMBL29386116 0.79 ENPP2 (0.41)
SCHEMBL319245 0.79 ENPP2 (0.41)
SCHEMBL12538688 0.79 CA1 (0.41) IRAK4ALDH1A1ACHE
SCHEMBL29954395 0.79 CA1 (0.41) IRAK4ALDH1A1ACHE
SCHEMBL20361724 0.78 IRAK4 (0.33) FFAR4IRAK4KCNQ3KCNQ2RORC
SCHEMBL25835370 0.77 FFAR4 (0.37) FFAR4TRPV3IRAK4KCNQ3KCNQ2
SCHEMBL26769952 0.76 CSNK2A1 (0.39) FFAR4IRAK4KCNQ3KCNQ2RORC

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