SCHEMBL3122525

SCHEMBL3122525

CCCCC(N)P(=O)(O)OC(C)CC

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 3/20 0.50
METAP1 P53582 1/20 0.42
FDPS P14324 1/20 0.41
S1PR2 O95136 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR4 O95977 4/20 0.41
SMPD1 P17405 3/20 0.40

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
SCHEMBL4158116 0.93 LAP3 (0.59) LAP3FDPSS1PR2S1PR1S1PR3
SCHEMBL8347462 0.83 LAP3 (0.52) LAP3METAP1
SCHEMBL3175491 0.77 LAP3 (0.43) LAP3METAP1FDPS
SCHEMBL5317678 0.76 FDPS (0.38) FDPSS1PR2S1PR1S1PR3S1PR4
SCHEMBL1058893 0.73 LAP3 (0.87) LAP3METAP1FDPSS1PR2S1PR1
SCHEMBL4309888 0.73 LAP3 (0.87) LAP3METAP1FDPSS1PR2S1PR1
SCHEMBL28264154 0.72 LAP3 (0.50) LAP3FDPSS1PR2S1PR1S1PR3
Oxalic Acid SCHEMBL1377705 0.71 LAP3 (0.40) LAP3METAP1
SCHEMBL10028050 0.71 LAP3 (0.63) LAP3METAP1FDPSS1PR2S1PR1
SCHEMBL19245350 0.71 TRPM8 (0.35) LAP3METAP1FDPSSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1801170-B1 Inkjet ink for preparing lithographic printing plates and method for their preparation AGFA GRAPHICS NV (BE) 2010-04-07 EP disclosed
EP-1803780-B1 Contrast dyes for inkjet lithographic printing plates AGFA GRAPHICS NV (BE) 2009-03-25 EP disclosed
US-20090036638-A1 Contrast Dyes for Inkjet Lithographic Printing Plates AGFA GRAPHICS NV (BE) 2009-02-05 US disclosed
US-20080280055-A1 Inkjet Lithographic Printing Plates and Method for Their Preparation AGFA GRAPHICS NV (BE) 2008-11-13 US disclosed
EP-1803780-A1 Contrast dyes for inkjet lithographic printing plates Agfa Graphics N.V. (BE) 2007-07-04 EP disclosed
EP-1801170-A1 Inkjet ink for preparing lithographic printing plates and method for their preparation Agfa Graphics N.V. (BE) 2007-06-27 EP disclosed