SCHEMBL29952898

SCHEMBL29952898

OB(O)c1ccc(O)c(OC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.45
MGLL Q99685 2/20 0.39
ABL1 P00519 1/20 0.37
KCNH2 Q12809 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ENPP2 Q13822 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL22683815 1.00 APP (0.45) APPMGLLABL1KCNH2TMEM97
SCHEMBL29953648 0.85 MGLL (0.39) APPMGLLABL1ENPP2CA1
SCHEMBL1496432 0.81 MGLL (0.39) MGLLABL1ENPP2CA1CA2
SCHEMBL31437950 0.81 MGLL (0.39) MGLLABL1ENPP2CA1CA2
SCHEMBL29953617 0.80 MGLL (0.38) MGLLABL1ENPP2CA1CA2
SCHEMBL29955486 0.80 TTR (0.42) MGLLABL1ENPP2CA1CA2
SCHEMBL2409490 0.80 TTR (0.42) MGLLABL1ENPP2CA1CA2
SCHEMBL20638904 0.79 ENPP2 (0.41) MGLLABL1ENPP2CA1CA2
SCHEMBL29953216 0.79 ENPP2 (0.41) MGLLABL1ENPP2CA1CA2
SCHEMBL491621 0.78 EPHX2 (0.50) MGLLABL1CA1CA2

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