Thunberginol F

Thunberginol F

SCHEMBL29929639

O=C1O/C(=C\c2ccc(O)c(O)c2)c2cccc(O)c21

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
NPC1 O15118 4/20 0.61
MAPT P10636 4/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 3/20 0.61
RAB9A P51151 3/20 0.61
STK17B O94768 4/20 0.58
RECQL P46063 3/20 0.58
AURKA O14965 3/20 0.58
GSK3B P49841 3/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58

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
Thunberginol F SCHEMBL29906165 1.00 KMT2A (0.61) KMT2AMEN1NPC1MAPTALDH1A1
Thunberginol F SCHEMBL29928790 1.00 KMT2A (0.61) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL6104911 0.76 LCK (0.67) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL9145121 0.74 MAOA (0.47) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL9145106 0.74 MAOA (0.47) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL3709614 0.73 STK17B (1.00) KMT2AMEN1NPC1MAPTSTK17B
SCHEMBL29646271 0.73 STK17B (1.00) KMT2AMEN1NPC1MAPTSTK17B
SCHEMBL3709615 0.73 STK17B (1.00) KMT2AMEN1NPC1MAPTSTK17B
SCHEMBL382951 0.69 MAOA (0.58) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL29568960 0.69 MAOA (0.58) KMT2AMEN1MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 US claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed