SCHEMBL12810804

SCHEMBL12810804

Cc1ccc2c(c1)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.71
▸ MAOB P27338 2/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ MAPT P10636 3/20 0.70
▸ TDP1 Q9NUW8 2/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ PTPN1 P18031 2/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MGAM O43451 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL12891393 1.00 MAOA (0.71) MAOAMAOBCYP3A4MAPTTDP1
Maackiain SCHEMBL29670858 0.83 MAOA (1.00) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL8223903 0.83 MAOA (0.71) MAOAMAOBCYP3A4MAPTTDP1
Maackiain SCHEMBL28064249 0.83 MAOA (1.00) MAOAMAOBCYP3A4MAPTTDP1
Maackiain SCHEMBL12810278 0.83 MAOA (1.00) MAOAMAOBCYP3A4MAPTTDP1
Pterocarpin SCHEMBL1248055 0.83 MAPT (1.00) MAOAMAOBCYP3A4MAPTTDP1
Pterocarpin SCHEMBL1248057 0.83 MAPT (1.00) MAOAMAOBCYP3A4MAPTTDP1
Pterocarpin SCHEMBL29361907 0.83 MAPT (1.00) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL12891390 0.81 MAPT (0.47) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL19999737 0.81 MAOA (0.67) 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 3 patents. 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
EP-2301520-A2 Oxidative dye Henkel AG & Co. KGaA (DE) 2011-03-30 — — EP disclosed
WO-2009033833-A2 COLORING AGENT HAVING NATURAL DYES AND 1,3-DIHYDROXYACETONE HENKEL AG & CO. KGAA (DE) 2009-03-19 — — WO disclosed
Send feedback