SCHEMBL4099559

SCHEMBL4099559

COc1cc(C(N)(P(=O)(O)O)P(=O)(O)O)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
CYP3A4 P08684 1/20 0.44
ACHE P22303 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
BRD4 O60885 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR1A P08908 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4609764 0.76 L3MBTL1 (0.44) MAPTCYP3A4ACHEL3MBTL1CA9
SCHEMBL5300782 0.72 ACHE (0.50) MAPTCYP3A4ACHEL3MBTL1CA9
SCHEMBL6517656 0.71 MAPT (0.52) MAPTCYP3A4ACHEL3MBTL1CA9
SCHEMBL16892967 0.70 MAPT (0.47) MAPTCYP3A4ACHECA9SMN1; SMN2
SCHEMBL26430179 0.69 ACHE (0.46) MAPTCYP3A4ACHEL3MBTL1CA9
SCHEMBL6749290 0.68 INPPL1 (0.62) MAPTCYP3A4ACHEL3MBTL1CA9
SCHEMBL1754083 0.68 ACHE (0.54) MAPTCYP3A4ACHEL3MBTL1CA9
SCHEMBL29944154 0.67 MAPT (0.52) MAPTCYP3A4ACHEL3MBTL1CA9
SCHEMBL8199992 0.67 PTGS2 (0.53) MAPTCYP3A4ACHEL3MBTL1MEN1
SCHEMBL29328721 0.67 HTR2A (0.48) MAPTCYP3A4ACHECA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293029-B2 Colored conversion layers on metal surfaces HENKEL AG & CO. KGAA (DE) 2012-10-23 US disclosed
EP-2057303-B1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO KGAA (DE) 2012-05-23 EP disclosed
US-20090214883-A1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO. KGAA (DE) 2009-08-27 US disclosed
EP-1658392-B1 COLOUR CONVERSION LAYERS ON METAL SURFACES HENKEL KGAA (DE) 2007-03-14 EP disclosed
US-20060173099-A1 Colored conversion layers on metal surfaces HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-08-03 US disclosed
EP-1658392-A1 COLOUR CONVERSION LAYERS ON METAL SURFACES Henkel Kommanditgesellschaft auf Aktien (DE) 2006-05-24 EP disclosed
WO-2005021834-A1 COLOUR CONVERSION LAYERS ON METAL SURFACES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-03-10 WO disclosed