SCHEMBL18602053

SCHEMBL18602053

COc1ccc2c(c1)O[C@H]1c3ccc(C)cc3OC[C@@H]21

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ TDP1 Q9NUW8 1/20 0.71
▸ DRD2 P14416 2/20 0.50
▸ DRD3 P35462 2/20 0.50
▸ MAOB P27338 3/20 0.45
▸ MAOA P21397 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ ABCB1 P08183 2/20 0.42
▸ USP2 O75604 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARD Q03181 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
SCHEMBL12891389 1.00 MAPT (0.71) MAPTMAPK1TDP1DRD2DRD3
Homopterocarpin SCHEMBL12998414 0.93 MAPT (0.80) MAPTMAPK1TDP1DRD2DRD3
Homopterocarpin SCHEMBL12810803 0.93 MAPT (0.80) MAPTMAPK1TDP1DRD2DRD3
Homopterocarpin SCHEMBL12810250 0.93 MAPT (0.80) MAPTMAPK1TDP1DRD2DRD3
Homopterocarpin SCHEMBL31237481 0.93 MAPT (0.80) MAPTMAPK1TDP1DRD2DRD3
Homopterocarpin SCHEMBL29366996 0.93 MAPT (0.80) MAPTMAPK1TDP1DRD2DRD3
SCHEMBL12810063 0.86 MAPT (0.70) MAPTMAPK1TDP1DRD2DRD3
SCHEMBL31039664 0.86 MAPT (0.70) MAPTMAPK1TDP1DRD2DRD3
SCHEMBL12912390 0.86 MAPT (0.70) MAPTMAPK1TDP1DRD2DRD3
SCHEMBL29572230 0.86 MAPT (0.70) 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
EP-2301520-B1 Oxidative dye HENKEL AG & CO KGAA (DE) 2017-03-08 — — EP disclosed
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