SCHEMBL3705380

SCHEMBL3705380

O=P(O)(O)CCCNc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
MAPT P10636 1/20 0.59
S1PR3 Q99500 6/20 0.54
S1PR2 O95136 5/20 0.54
S1PR1 P21453 5/20 0.54
S1PR4 O95977 4/20 0.54
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL27491285 0.94 ALDH1A1 (0.57) ALDH1A1MAPTS1PR3S1PR2S1PR1
SCHEMBL10893939 0.85 ALDH1A1 (0.55) ALDH1A1MAPTS1PR3S1PR2S1PR1
SCHEMBL7646886 0.85 ALDH1A1 (0.55) ALDH1A1MAPTS1PR3S1PR2S1PR1
Phosphonic Acid SCHEMBL9063363 0.84 MMP8 (0.46) ALDH1A1MAPTS1PR3S1PR2S1PR1
SCHEMBL3836739 0.84 PRSS1 (0.46) ALDH1A1MAPTS1PR3S1PR2S1PR1
Phosphoric Acid SCHEMBL1297639 0.81 ALDH1A1 (0.59) ALDH1A1MAPTCA12CA9L3MBTL1
Hydrochloric Acid SCHEMBL8918336 0.79 CA9 (0.53) ALDH1A1MAPTS1PR3S1PR2S1PR1
SCHEMBL1297642 0.77 ALDH1A1 (0.53) ALDH1A1MAPTCA12CA9L3MBTL1
Phosphoric Acid SCHEMBL28361005 0.77 EPHX1 (0.55) ALDH1A1MAPT
SCHEMBL4970157 0.76 ALDH1A1 (0.89) ALDH1A1MAPTL3MBTL1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195649-A1 PRINTABLE OXYGEN SENSING COMPOSITION Sun Chemical B.V. (NL) 2010-06-16 EP claimed
WO-2009037477-A1 PRINTABLE OXYGEN SENSING COMPOSITION SUN CHEMICAL LIMITED (GB) 2009-03-26 WO claimed