SCHEMBL14479684

SCHEMBL14479684

COc1ccc2c(c1)OC1c3cc(OC)ccc3OCC21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ TDP1 Q9NUW8 1/20 0.68
▸ DRD2 P14416 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ HTR2A P28223 2/20 0.44
▸ HTR2C P28335 2/20 0.44
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ PTPN1 P18031 1/20 0.42
▸ CYP19A1 P11511 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41

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
Homopterocarpin SCHEMBL12810803 0.91 MAPT (0.80) MAPTMAPK1TDP1DRD2DRD3
Homopterocarpin SCHEMBL12810250 0.91 MAPT (0.80) MAPTMAPK1TDP1DRD2DRD3
Homopterocarpin SCHEMBL31237481 0.91 MAPT (0.80) MAPTMAPK1TDP1DRD2DRD3
Homopterocarpin SCHEMBL12998414 0.91 MAPT (0.80) MAPTMAPK1TDP1DRD2DRD3
Homopterocarpin SCHEMBL29366996 0.91 MAPT (0.80) MAPTMAPK1TDP1DRD2DRD3
SCHEMBL14479679 0.91 MAPT (0.61) MAPTMAPK1TDP1DRD2DRD3
SCHEMBL14479683 0.88 MAPT (0.67) MAPTMAPK1TDP1DRD2DRD3
SCHEMBL14479707 0.88 MAPT (0.67) MAPTMAPK1TDP1DRD2DRD3
SCHEMBL14479731 0.88 MAPT (0.67) MAPTMAPK1TDP1DRD2DRD3
SCHEMBL12891389 0.85 MAPT (0.71) MAPTMAPK1TDP1DRD2DRD3

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-2013000054-A1 METHOD FOR PRODUCING PTEROCARPANS, CYTOMODULATING COMPOSITION CONTAINING PTEROCARPANS, AND USE OF PTEROCARPANS UNIVERSIDADE FEDERAL DO CEARÁ - UFC (BR) 2013-01-03 — — WO disclosed
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