Verrulactone A

Verrulactone A

SCHEMBL29929581

COc1cc(O)c2c(=O)oc3cc(O)c(O)c(-c4c(O)c(O)cc5oc(=O)c6c(O)cc(OC)cc6c45)c3c2c1

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.67
MEN1 O00255 2/20 0.59
THRB P10828 2/20 0.59
RECQL P46063 2/20 0.59
KMT2A Q03164 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
SLC22A2 O15244 1/20 0.59
SLC22A1 O15245 1/20 0.59
EED O75530 1/20 0.59
ALOX5 P09917 1/20 0.59
G6PD P11413 1/20 0.59
CBR1 P16152 1/20 0.59
APEX1 P27695 1/20 0.59
BLM P54132 1/20 0.59
MGAM O43451 3/20 0.54
GAA P10253 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
POLK Q9UBT6 1/20 0.49
PTGS1 P23219 1/20 0.49

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
Verrulactone B SCHEMBL29929349 0.92 MAOA (0.58) MAOAMEN1THRBRECQLKMT2A
SCHEMBL30321460 0.81 MEN1 (0.71) MAOAMEN1THRBRECQLKMT2A
SCHEMBL30335047 0.81 MEN1 (0.71) MAOAMEN1THRBRECQLKMT2A
SCHEMBL29377175 0.81 MAOA (1.00) MAOAMEN1THRBRECQLKMT2A
SCHEMBL28798388 0.81 MAOA (1.00) MAOAMEN1THRBRECQLKMT2A
SCHEMBL30321445 0.80 MAOA (0.67) MAOAMEN1THRBRECQLKMT2A
SCHEMBL31465207 0.77 MAOA (0.66) MAOAMEN1THRBRECQLKMT2A
Wedelolactone SCHEMBL601220 0.74 MEN1 (1.00) MAOAMEN1THRBRECQLKMT2A
Wedelolactone SCHEMBL30669739 0.74 MEN1 (1.00) MAOAMEN1THRBRECQLKMT2A
Wedelolactone SCHEMBL29802384 0.74 MEN1 (1.00) MAOAMEN1THRBRECQLKMT2A

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 5 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
US-20250161394-A1 Compositions Comprising Kavalactones NATURAL EXTRACTION SYS LLC (US) 2025-05-22 US disclosed
US-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 US disclosed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO disclosed