SCHEMBL28839205

SCHEMBL28839205

O=C(O)CCC(C(=O)O)C(C(=O)O)P(=O)(O)O.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.50
GRM3 Q14832 3/20 0.46
GGH Q92820 1/20 0.42
TET2 Q6N021 3/20 0.40
KDM4A O75164 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM2A Q9Y2K7 2/20 0.40
TET3 O43151 1/20 0.40
CYP1A2 P05177 2/20 0.39
GRM8 O00222 2/20 0.39
GRM6 O15303 2/20 0.39
GRM7 Q14831 2/20 0.39
GRM4 Q14833 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GSR P00390 1/20 0.39
GRIK1 P39086 1/20 0.39
GRM5 P41594 1/20 0.39
GRIA1 P42261 1/20 0.39

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
SCHEMBL22985 0.98 FOLH1 (0.55) FOLH1NAALAD2GRM3GGHTET2
SCHEMBL8842667 0.79 FOLH1 (0.38) FOLH1NAALAD2GRM3GRIN2DGRIN3B
SCHEMBL8843499 0.78 GABRR1 (0.40) FOLH1NAALAD2GRIN2DGRIN3BGRIN1
SCHEMBL11334645 0.78 FDPS (0.46) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2764210 0.77 TDP1 (0.56) FOLH1NAALAD2
SCHEMBL8060052 0.76 FOLH1 (0.53) FOLH1NAALAD2GRM3GGHTET2
SCHEMBL8843138 0.76 SLC1A3 (0.36) FOLH1NAALAD2GRIN2DGRIN3BSLC1A3
SCHEMBL8842491 0.76 FOLH1 (0.35) FOLH1NAALAD2GRIN2DGRIN3BGRIN1
SCHEMBL11331961 0.76 FOLH1 (0.53) FOLH1NAALAD2GRM3GGHTET2
Water SCHEMBL5161812 0.75 TDP1 (0.54) 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
CN-106396145-A Sea water desalination scale inhibitor and preparation method thereof 江苏经纬技术创新咨询有限公司 2017-02-15 CN disclosed