SCHEMBL4158111

SCHEMBL4158111

CCCCCCCCCCCC(N)P(=O)(OCC)OCC

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.58
OPRM1 P35372 1/20 0.45
S1PR2 O95136 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR4 O95977 4/20 0.44
SMPD1 P17405 3/20 0.43
FDPS P14324 3/20 0.42
TP53 P04637 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
SCHEMBL19955270 1.00 LAP3 (0.58) LAP3OPRM1S1PR2S1PR1S1PR3
SCHEMBL10384012 0.98 LAP3 (0.57) LAP3OPRM1S1PR2S1PR1S1PR3
SCHEMBL3122516 0.92 LAP3 (0.48) LAP3OPRM1S1PR2S1PR1S1PR3
SCHEMBL6553981 0.88 LAP3 (0.50) LAP3OPRM1S1PR2S1PR1S1PR3
SCHEMBL7114499 0.87 LAP3 (0.56) LAP3S1PR2S1PR1S1PR3S1PR4
SCHEMBL19349539 0.87 LAP3 (0.56) LAP3S1PR2S1PR1S1PR3S1PR4
SCHEMBL28659627 0.84 TSHR (0.40) LAP3FDPSTP53
SCHEMBL19349486 0.80 CYP3A4 (0.60) LAP3S1PR2S1PR1S1PR3S1PR4
SCHEMBL11040069 0.79 LAP3 (0.47) LAP3FDPS
SCHEMBL9856813 0.79 ALDH1A1 (0.49) LAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036638-A1 Contrast Dyes for Inkjet Lithographic Printing Plates AGFA GRAPHICS NV (BE) 2009-02-05 US 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
US-20080280055-A1 Inkjet Lithographic Printing Plates and Method for Their Preparation AGFA GRAPHICS NV (BE) 2008-11-13 US disclosed