SCHEMBL4727259

SCHEMBL4727259

COc1ccc2c(c1)OC1c3ccc(O)c(OC)c3OCC21

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.63
▸ MAPK1 P28482 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ MAOA P21397 2/20 0.52
▸ MAOB P27338 2/20 0.52
▸ PTPN1 P18031 3/20 0.49
▸ CYP3A4 P08684 4/20 0.41
▸ ALOX15 P16050 2/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ TYR P14679 1/20 0.39

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
SCHEMBL31357398 1.00 PTGS1 (0.63) PTGS1MAPK1MAPTTDP1MAOA
Vesticarpan SCHEMBL13731396 0.89 MAOA (0.58) PTGS1MAPK1MAPTTDP1MAOA
SCHEMBL27836059 0.83 MAOA (0.73) PTGS1MAPK1MAPTTDP1MAOA
Licoagrocarpin SCHEMBL30999863 0.81 PTPN1 (0.78) MAPK1MAPTTDP1MAOAMAOB
Licoagrocarpin SCHEMBL30999862 0.81 PTPN1 (0.78) MAPK1MAPTTDP1MAOAMAOB
Homopterocarpin SCHEMBL12810250 0.81 MAPT (0.80) MAPK1MAPTTDP1MAOAMAOB
Homopterocarpin SCHEMBL12998414 0.81 MAPT (0.80) MAPK1MAPTTDP1MAOAMAOB
Homopterocarpin SCHEMBL29366996 0.81 MAPT (0.80) MAPK1MAPTTDP1MAOAMAOB
Homopterocarpin SCHEMBL31237481 0.81 MAPT (0.80) MAPK1MAPTTDP1MAOAMAOB
Homopterocarpin SCHEMBL12810803 0.81 MAPT (0.80) MAPK1MAPTTDP1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809627-B2 Plant isoflavone and isoflavanone O-methyltransferase genes THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2014-08-19 — — US disclosed
US-20080317880-A1 PLANT ISOFLAVONE AND ISOFLAVANONE O-METHYLTRANSFERASE GENES THE SAMUEL ROBERTS NOBLE FOUNDATION 2008-12-25 — — US disclosed
WO-2008022265-A2 PLANT ISOFLAVONE AND ISOFLAVANONE O-METHYLTRANSFERASE GENES THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2008-02-21 — — WO disclosed
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