SCHEMBL7766705

SCHEMBL7766705

O=P(O)(O)Oc1c(Cl)cc(Cl)cc1S(=O)(=O)O.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 1/20 0.43
INPPL1 O15357 7/20 0.37
INPP5A Q14642 5/20 0.36
AKT1 P31749 1/20 0.35
INPP5B P32019 2/20 0.34
F2 P00734 3/20 0.33
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
ACLY P53396 3/20 0.33
SRC P12931 2/20 0.33
NSD2 O96028 1/20 0.32
MMP14 P50281 1/20 0.32
CASP6 P55212 1/20 0.32
PPARG P37231 1/20 0.31

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
SCHEMBL25259132 0.80 INPPL1 (0.48) CA1CA2CA9INPPL1INPP5A
SCHEMBL21309558 0.76 ACLY (0.48) CA1CA2CA9F2PRSS1
SCHEMBL21309559 0.72 CXCR5 (0.50) CA1CA2CA9F2PRSS1
SCHEMBL10674455 0.71 CA1 (0.47) CA1CA2CA9F2PRSS1
SCHEMBL9951728 0.70 CA1 (0.43) CA1CA2CA9F2PRSS1
SCHEMBL11513312 0.70 CA1 (0.39) CA1CA2CA9F2PRSS1
SCHEMBL11323103 0.70 ACLY (0.42) CA1CA2CA9ACLY
SCHEMBL1648602 0.70 CA1 (0.66) CA1CA2F2PRSS1PRSS2
SCHEMBL9589745 0.70 CA1 (0.66) CA1CA2F2PRSS1PRSS2
SCHEMBL4258331 0.69 CA1 (0.48) CA1CA2CA9F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102991-A2 DIAGNOSTIC ASSAY REQUIRING A SMALL SAMPLE OF BIOLOGICAL FLUID ABBOTT LABORATORIES (US) 2001-05-30 EP disclosed
WO-1999064620-A2 DIAGNOSTIC ASSAY REQUIRING A SMALL SAMPLE OF BIOLOGICAL FLUID ABBOTT LABORATORIES (US) 1999-12-16 WO disclosed