SCHEMBL3107682

SCHEMBL3107682

CCCCCCCCCCCCC(C(=O)Cl)P(=O)(OCC)OCC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.42
FDPS P14324 5/20 0.42
LAP3 P28838 1/20 0.40
LPAR3 Q9UBY5 3/20 0.38
GPR84 Q9NQS5 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
FFAR1 O14842 1/20 0.38
CA1 P00915 1/20 0.38
PLA2G2A P14555 1/20 0.38
ZDHHC7 Q9NXF8 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
SCHEMBL2940140 0.85 SMPD1 (0.43) SMPD1FDPSLAP3LPAR3GPR84
SCHEMBL5326687 0.85 GPR84 (0.47) SMPD1FDPSLAP3GPR84FFAR1
SCHEMBL13924959 0.85 GPR84 (0.47) SMPD1FDPSLAP3GPR84FFAR1
SCHEMBL4229201 0.85 GPR84 (0.47) SMPD1FDPSLAP3GPR84FFAR1
SCHEMBL3674519 0.83 SMPD1 (0.42) SMPD1FDPSLAP3LPAR3GPR84
SCHEMBL9234014 0.83 SMPD1 (0.42) SMPD1FDPSLAP3LPAR3GPR84
SCHEMBL2941260 0.83 FDPS (0.41) SMPD1FDPSLAP3LPAR3GPR84
SCHEMBL3147647 0.81 FDPS (0.40) SMPD1FDPSLAP3LPAR3GPR84
SCHEMBL9000615 0.81 POLB (0.42) SMPD1FDPSLAP3LPAR3GPR84
SCHEMBL28476219 0.81 LPAR3 (0.43) SMPD1FDPSLPAR3LPAR1LPAR2

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 8 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-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
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