SCHEMBL9714012

SCHEMBL9714012

CCCCCCCCCCCCC(CP(=O)(O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.62
NAALAD2 Q9Y3Q0 1/20 0.56
FDPS P14324 4/20 0.55
GRIK1 P39086 2/20 0.54
GRIK2 Q13002 2/20 0.54
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
CA2 P00918 1/20 0.52
MAPK1 P28482 1/20 0.52
LAP3 P28838 1/20 0.52
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
GPR84 Q9NQS5 2/20 0.50

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
SCHEMBL9714134 1.00 FOLH1 (0.62) FOLH1NAALAD2FDPSGRIK1GRIK2
SCHEMBL15068278 1.00 FOLH1 (0.62) FOLH1NAALAD2FDPSGRIK1GRIK2
SCHEMBL5053176 0.92 FOLH1 (0.67) FOLH1NAALAD2FDPSFNTAFNTB
SCHEMBL11112382 0.87 GRIK1 (0.56) FOLH1FDPSGRIK1GRIK2CA2
Phosphoric Acid SCHEMBL28195519 0.86 GRIK1 (0.59) FDPSGRIK1GRIK2CA2MAPK1
Phosphoric Acid SCHEMBL18797445 0.85 GRIK1 (0.58) FDPSGRIK1GRIK2CA2MAPK1
Phosphoric Acid SCHEMBL28196208 0.85 CA2 (0.61) FDPSGRIK1GRIK2CA2MAPK1
SCHEMBL5057870 0.84 FOLH1 (0.64) FOLH1NAALAD2FDPSGRIK1GRIK2
SCHEMBL5423871 0.84 S1PR2 (0.59) FOLH1FDPSGRIK1GRIK2CA2
SCHEMBL21805747 0.82 P2RY10 (0.53) FOLH1NAALAD2

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
EP-0493927-A1 Phosphate esters and compositions containing them UNILEVER PLC (GB) 1992-07-08 EP disclosed