SCHEMBL22133149

SCHEMBL22133149

C=C/C(=C/I)C(=O)CC(CC(=O)c1ccccc1OC)c1cc(O)c(O)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
HTT P42858 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
CTSD P07339 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC1 Q13547 1/20 0.34
KDM4E B2RXH2 2/20 0.33
KCNMA1 Q12791 1/20 0.33
TTR P02766 1/20 0.33
USP2 O75604 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL22100175 0.86 IDO1 (0.52) IDO1TDO2HTTL3MBTL1KMT2A
SCHEMBL29500531 0.71 L3MBTL1 (0.51) IDO1TDO2HTTL3MBTL1KMT2A
SCHEMBL22074296 0.71 L3MBTL1 (0.51) IDO1TDO2HTTL3MBTL1KMT2A
SCHEMBL22074244 0.70 L3MBTL1 (0.49) HTTL3MBTL1KMT2AALDH1A1NPC1
SCHEMBL22074273 0.69 L3MBTL1 (0.67) IDO1TDO2HTTL3MBTL1KMT2A
SCHEMBL29500535 0.69 L3MBTL1 (0.67) IDO1TDO2HTTL3MBTL1KMT2A
SCHEMBL22074268 0.67 NPC1 (0.43) IDO1TDO2HTTL3MBTL1KMT2A
SCHEMBL22074243 0.66 L3MBTL1 (0.48) IDO1TDO2HTTL3MBTL1KMT2A
SCHEMBL29500532 0.66 L3MBTL1 (0.48) IDO1TDO2HTTL3MBTL1KMT2A
SCHEMBL9642042 0.65 NPC1 (0.58) IDO1TDO2HTTL3MBTL1KMT2A

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-2020131924-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR USE IN TREATING AUTOPHAGY-ASSOCIATED DISORDERS Biophagy, Inc. (US) 2020-06-25 WO disclosed