SCHEMBL15988909

SCHEMBL15988909

COc1ccccc1C(=O)CCC(=O)c1cc(O)c2c(c1OC)OCCO2

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 12/20 0.63
WNT3A P56704 11/20 0.63
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC1 Q13547 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
CAPN1 P07384 1/20 0.40

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
SCHEMBL15979848 0.90 CTNNB1 (0.66) CTNNB1WNT3AIDO1TDO2ALDH1A1
SCHEMBL15979902 0.83 CTNNB1 (0.70) CTNNB1WNT3AALDH1A1KMT2AHDAC8
SCHEMBL15979869 0.81 CTNNB1 (0.71) CTNNB1WNT3AIDO1TDO2NPC1
SCHEMBL15979860 0.80 CTNNB1 (0.53) CTNNB1WNT3AALDH1A1KMT2ANPC1
SCHEMBL15979748 0.80 CTNNB1 (0.53) CTNNB1WNT3AALDH1A1KMT2ANPC1
SCHEMBL15979877 0.79 CTNNB1 (0.67) CTNNB1WNT3AALDH1A1KMT2AHDAC8
SCHEMBL15979940 0.79 CTNNB1 (0.72) CTNNB1WNT3AIDO1TDO2ALDH1A1
SCHEMBL15979851 0.78 CTNNB1 (0.66) CTNNB1WNT3AIDO1TDO2ALDH1A1
SCHEMBL30441077 0.78 CTNNB1 (1.00) CTNNB1WNT3AHDAC8HDAC1NPC1
SCHEMBL15970013 0.78 CTNNB1 (1.00) CTNNB1WNT3AHDAC8HDAC1NPC1

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