SCHEMBL4099563

SCHEMBL4099563

COc1cc(NC(P(=O)(O)O)P(=O)(O)O)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 6/20 0.47
CA1 P00915 3/20 0.47
MMP8 P22894 3/20 0.47
CA9 Q16790 2/20 0.46
MMP2 P08253 5/20 0.44
CA2 P00918 1/20 0.44
CA14 Q9ULX7 3/20 0.44
MMP14 P50281 2/20 0.44
MMP9 P14780 1/20 0.43
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.42
G6PD P11413 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9525229 0.74 MAPT (0.54) MAPTSMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL5300778 0.74 MAPT (0.58) MAPTSMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL2674642 0.72 MEN1 (0.53) MAPTSMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL9348606 0.72 MAPT (0.56) MAPTSMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL27894557 0.71 MAPT (0.66) MAPTMEN1MAPK1KMT2ACYP3A4
SCHEMBL6922150 0.71 MEN1 (0.51) MAPTSMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL25896876 0.71 MAPT (0.54) MAPTSMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL11197844 0.70 MEN1 (0.50) MAPTSMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL11062887 0.70 MEN1 (0.50) MAPTSMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL6517656 0.70 MAPT (0.52) MAPTSMN1; SMN2MEN1KMT2ACA9

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
US-20090214883-A1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO. KGAA (DE) 2009-08-27 US disclosed