SCHEMBL15988945

SCHEMBL15988945

COc1cc(C(=O)CCC(=O)c2ccccc2C(F)(F)F)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 15/20 0.56
WNT3A P56704 15/20 0.56
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL15988785 0.90 CTNNB1 (0.58) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL7365546 0.85 SLC22A6 (0.60) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL15980074 0.78 CTNNB1 (0.62) CTNNB1WNT3AALDH1A1
SCHEMBL30089582 0.77 CTNNB1 (0.75) CTNNB1WNT3AGAA
SCHEMBL31134778 0.76 HTT (0.65) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL5190466 0.76 HTT (0.65) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL17350715 0.76 SLC22A6 (0.62) CTNNB1WNT3AMEN1KMT2AGAA
SCHEMBL3811067 0.74 SLC22A6 (0.64) CTNNB1WNT3AMEN1KMT2AGAA
SCHEMBL29595420 0.74 SLC22A6 (0.64) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL30266750 0.74 SLC22A6 (0.64) CTNNB1WNT3AMEN1KMT2AGAA

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