SCHEMBL8900704

SCHEMBL8900704

O=[N+]([O-])c1ccc(OP(=O)(O)O)c([Na])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
INPPL1 O15357 5/20 0.46
INPP5A Q14642 3/20 0.46
AKT1 P31749 1/20 0.43
INPP5B P32019 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
AKR1C3 P42330 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
PTPRC P08575 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL7064128 0.85 CA1 (0.61) CA1CA2CES2CES1INPPL1
SCHEMBL6041202 0.82 CA1 (0.57) CA1CA2CES2CES1INPPL1
SCHEMBL6041195 0.82 CA1 (0.57) CA1CA2CES2CES1INPPL1
SCHEMBL13980850 0.81 CA1 (0.56) CA1CA2CES2CES1INPPL1
SCHEMBL4535386 0.81 CA1 (0.56) CA1CA2CES2CES1SMN1; SMN2
SCHEMBL1134003 0.81 CA1 (0.56) CA1CA2CES2CES1SMN1; SMN2
SCHEMBL4816746 0.81 CA1 (0.56) CA1CA2CES2CES1INPPL1
SCHEMBL4823831 0.81 CA1 (0.56) CA1CA2CES2CES1INPPL1
SCHEMBL28734906 0.79 CA1 (0.54) CA1CA2CES2CES1SMN1; SMN2
SCHEMBL901296 0.78 CA1 (0.53) CA1CA2CES2CES1INPPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481089-B1 HUMAN MONOCLONAL ANTIBODY AGAINST GLYCOPROTEIN GP III OF VARICELLA ZOSTER VIRUS TEIJIN LTD (JP) 1997-07-30 EP disclosed
US-5650319-A VIRICIDES AND ANTIBODIES TEIJIN LIMITED (JP) 1997-07-22 US disclosed
EP-0421382-B1 Monoclonal antibody to exotoxin A of pseudomonas aeruginosa SUMITOMO PHARMA (JP) 1994-08-31 EP disclosed
EP-0481089-A1 HUMAN MONOCLONAL ANTIBODY AGAINST GLYCOPROTEIN GP III OF VARICELLA ZOSTER VIRUS TEIJIN LIMITED (JP) 1992-04-22 EP disclosed
EP-0421382-A1 Monoclonal antibody to exotoxin A of pseudomonas aeruginosa SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-04-10 EP disclosed