SCHEMBL29928971

SCHEMBL29928971

CC(CO)CCc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.53
▸ MAOB P27338 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PTPN1 P18031 6/20 0.42

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
SCHEMBL23043828 1.00 MAOA (0.53) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL14812146 0.78 PTPN1 (0.66) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL14812147 0.78 PTPN1 (0.66) MAOAMAOBCYP3A4MAPTMAPK1
Maackiain SCHEMBL28064249 0.70 MAOA (1.00) MAOAMAOBCYP3A4MAPTMAPK1
Maackiain SCHEMBL12810278 0.70 MAOA (1.00) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL12810804 0.70 MAOA (0.71) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL12891393 0.70 MAOA (0.71) MAOAMAOBCYP3A4MAPTMAPK1
Maackiain SCHEMBL29670858 0.70 MAOA (1.00) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL29547752 0.66 MAOA (0.56) MAOAMAOBCYP3A4MAPTMAPK1
Emoroidocarpan SCHEMBL31237801 0.65 CYP3A4 (0.54) MAOAMAOBCYP3A4MAPTMAPK1

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
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