SCHEMBL7045086

SCHEMBL7045086

Oc1ccc(-c2ccc3c(O)cc(O)cc3[o+]2)cc1.Oc1ccc2ccc(-c3ccc(O)c(O)c3)[o+]c2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 9/20 0.79
F2 P00734 1/20 0.51
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
GLO1 Q04760 6/20 0.50
SNCA P37840 3/20 0.50
DPP4 P27487 2/20 0.50
OR51E2 Q9H255 2/20 0.47
ALOX5 P09917 1/20 0.40
CREBBP Q92793 3/20 0.38
EGFR P00533 2/20 0.38
KDR P35968 2/20 0.38
EP300 Q09472 2/20 0.38
ESR1 P03372 5/20 0.37
ESR2 Q92731 5/20 0.37
XDH P47989 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
SLCO2B1 O94956 1/20 0.36
CCNB2 O95067 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
Luteolinidin SCHEMBL30159678 0.89 CD38 (1.00) CD38F2NR1H2NR1H3GLO1
Luteolinidin SCHEMBL676808 0.89 CD38 (1.00) CD38F2NR1H2NR1H3GLO1
Luteolinidin SCHEMBL676807 0.87 CD38 (0.97) CD38F2NR1H2NR1H3GLO1
SCHEMBL6131735 0.87 CD38 (0.64) CD38F2NR1H2NR1H3GLO1
Hydrochloric Acid SCHEMBL6131737 0.86 CD38 (0.62) CD38F2NR1H2NR1H3GLO1
SCHEMBL5692415 0.86 CD38 (0.76) CD38F2NR1H2NR1H3GLO1
Hydrochloric Acid SCHEMBL1366891 0.84 CD38 (0.73) CD38F2NR1H2NR1H3GLO1
Hydrochloric Acid SCHEMBL29392598 0.84 CD38 (0.73) CD38F2NR1H2NR1H3GLO1
Hydrochloric Acid SCHEMBL29413086 0.84 CD38 (0.73) CD38F2NR1H2NR1H3GLO1
SCHEMBL7044449 0.84 CD38 (0.54) CD38F2NR1H2NR1H3GLO1

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
WO-2003007910-A1 COMPOSITIONS COMPRISING COMPOUNDS OF FLAVYLIUM SALT TYPE UNSUBSTITUTED IN POSITION 3 FOR SKIN COLOURING AND USES L'OREAL (FR) 2003-01-30 WO claimed
EP-0949897-A1 USE OF FLAVYLIUM TYPE COMPOUNDS NON-SUBSTITUTED IN POSITION 3 FOR DYEING KERATINOUS FIBRES AND COMPOSITIONS CONTAINING THEM L'OREAL (FR) 1999-10-20 EP claimed
WO-1998027940-A1 USE OF FLAVYLIUM TYPE COMPOUNDS NON-SUBSTITUTED IN POSITION 3 FOR DYEING KERATINOUS FIBRES AND COMPOSITIONS CONTAINING THEM L'OREAL (FR) 1998-07-02 WO claimed