SCHEMBL30523846

SCHEMBL30523846

COc1ccc2c(c1)OCC1c3c(O)cc(OC)cc3OC21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ CYP3A4 P08684 3/20 0.46
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ USP2 O75604 2/20 0.41
▸ MGAM O43451 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ ABCB1 P08183 2/20 0.38

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
SCHEMBL13829456 0.94 MAOA (0.54) MAPTMAPK1TDP1CYP3A4MAOA
SCHEMBL30523839 0.94 MAOA (0.54) MAPTMAPK1TDP1CYP3A4MAOA
SCHEMBL30523860 0.85 DYRK1A (0.47) MAPTMAPK1TDP1CYP3A4MAOA
SCHEMBL31039664 0.84 MAPT (0.70) MAPTMAPK1TDP1CYP3A4MAOA
SCHEMBL19999732 0.84 MAPT (0.70) MAPTMAPK1TDP1CYP3A4MAOA
SCHEMBL72477 0.84 MAPT (0.70) MAPTMAPK1TDP1CYP3A4MAOA
SCHEMBL72476 0.84 MAPT (0.70) MAPTMAPK1TDP1CYP3A4MAOA
SCHEMBL29572230 0.84 MAPT (0.70) MAPTMAPK1TDP1CYP3A4MAOA
SCHEMBL12912390 0.84 MAPT (0.70) MAPTMAPK1TDP1CYP3A4MAOA
Homopterocarpin SCHEMBL31237481 0.83 MAPT (0.80) MAPTMAPK1TDP1CYP3A4MAOA

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-2023150072-A1 COMPOSITIONS AND METHODS FOR THE PRESERVATION OF PLANT MATTER SINCLAIR DAVID A (US) 2023-08-10 — — WO disclosed
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