SCHEMBL15988893

SCHEMBL15988893

O=C(CCC(=O)c1ncccc1O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 19/20 0.58
WNT3A P56704 15/20 0.58
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL15980210 0.88 CTNNB1 (0.69) CTNNB1WNT3A
SCHEMBL15980207 0.87 CTNNB1 (0.57) CTNNB1WNT3A
SCHEMBL15988798 0.87 CTNNB1 (0.68) CTNNB1WNT3A
SCHEMBL15980213 0.85 CTNNB1 (0.71) CTNNB1WNT3A
SCHEMBL15980212 0.84 CTNNB1 (0.54) CTNNB1WNT3A
SCHEMBL15980016 0.84 CTNNB1 (0.64) CTNNB1WNT3A
SCHEMBL15980230 0.81 CTNNB1 (0.69) CTNNB1WNT3A
SCHEMBL15979810 0.81 CTNNB1 (0.86) CTNNB1WNT3A
SCHEMBL15988839 0.80 CTNNB1 (0.68) CTNNB1WNT3A
SCHEMBL15980229 0.80 CTNNB1 (0.66) CTNNB1WNT3A

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
WO-2014130869-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS SAMUMED, LLC (US) 2014-08-28 WO disclosed