SCHEMBL30523834

SCHEMBL30523834

COc1cc(O)c2c(c1)OCC1c3ccc(O)cc3OC21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.51
▸ MAOB P27338 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPT P10636 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ PTPN1 P18031 3/20 0.47
▸ MGAM O43451 1/20 0.43
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ATM Q13315 1/20 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 0.85 MAOA (0.54) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL30523839 0.85 MAOA (0.54) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL72477 0.85 MAPT (0.70) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL12912390 0.85 MAPT (0.70) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL31039664 0.85 MAPT (0.70) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL19999732 0.85 MAPT (0.70) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL72476 0.85 MAPT (0.70) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL29572230 0.85 MAPT (0.70) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL14479679 0.81 MAPT (0.61) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL14479685 0.80 MAPT (0.56) MAOAMAOBCYP3A4MAPTTDP1

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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