SCHEMBL29929481

SCHEMBL29929481

O=c1c(-c2cc(O)c(O)c(O)c2)coc2cc(O)ccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.76
MIF P14174 1/20 0.76
KDM4E B2RXH2 10/20 0.75
ALDH1A1 P00352 8/20 0.75
HSD17B10 Q99714 8/20 0.75
HPGD P15428 7/20 0.75
MAPT P10636 6/20 0.75
NPC1 O15118 5/20 0.75
RAB9A P51151 5/20 0.75
SMN1; SMN2 Q16637 5/20 0.75
CYP3A4 P08684 4/20 0.75
TDP1 Q9NUW8 4/20 0.75
TP53 P04637 3/20 0.75
CYP2D6 P10635 2/20 0.75
CYP2C9 P11712 2/20 0.75
MAOA P21397 2/20 0.75
MAOB P27338 2/20 0.75
CYP2C19 P33261 2/20 0.75
HDAC6 Q9UBN7 2/20 0.75
BLM P54132 2/20 0.75

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
SCHEMBL555129 1.00 XDH (0.76) XDHMIFKDM4EALDH1A1HSD17B10
SCHEMBL13904607 0.88 KDM4E (0.79) XDHMIFKDM4EALDH1A1HSD17B10
SCHEMBL29392289 0.87 XDH (1.00) XDHMIFKDM4EALDH1A1HSD17B10
SCHEMBL73012 0.87 XDH (1.00) XDHMIFKDM4EALDH1A1HSD17B10
SCHEMBL29482679 0.87 XDH (1.00) XDHMIFKDM4EALDH1A1HSD17B10
SCHEMBL29482686 0.87 XDH (1.00) XDHMIFKDM4EALDH1A1HSD17B10
Daidzein SCHEMBL21114371 0.86 KDM4E (1.00) XDHMIFKDM4EALDH1A1HSD17B10
Daidzein SCHEMBL29374778 0.86 KDM4E (1.00) XDHMIFKDM4EALDH1A1HSD17B10
Daidzein SCHEMBL19814 0.86 KDM4E (1.00) XDHMIFKDM4EALDH1A1HSD17B10
SCHEMBL13904558 0.85 KDM4E (0.72) XDHMIFKDM4EALDH1A1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 WO claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed
WO-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 WO disclosed