SCHEMBL11041786

SCHEMBL11041786

CCC(CC(=O)O)C(=O)OS(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
MMP14 P50281 1/20 0.34
MMP15 P51511 1/20 0.34
MMP16 P51512 1/20 0.34
MMP26 Q9NRE1 1/20 0.34
CA2 P00918 2/20 0.32
FOLH1 Q04609 2/20 0.32
CA1 P00915 1/20 0.32
GCLC P48506 1/20 0.32
CPA1 P15085 2/20 0.32
CPB1 P15086 1/20 0.32
CPA3 P15088 1/20 0.32
CPB2 Q96IY4 1/20 0.32
MAPK1 P28482 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL3256653 0.80 GPR84 (0.49) MMP2MMP9MMP12CA2
Sulfuric Acid SCHEMBL27498320 0.79 MEN1 (0.41) MMP2MMP9MMP12MMP14MMP15
SCHEMBL5329390 0.79 GPR84 (0.47) MMP2MMP9MMP12CA2
SCHEMBL9118529 0.78 RECQL (0.46) CA2CA1MAPK1RECQL
SCHEMBL28545874 0.77 MMP2 (0.39) MMP2MMP9MMP12MMP14MMP15
SCHEMBL902939 0.77 GRIK1 (0.36) CPA1
SCHEMBL6053670 0.75 CA2 (0.55) MMP2MMP9MMP12MMP14MMP15
SCHEMBL2709164 0.75 MEN1 (0.47) MMP2MMP9MMP12MMP14MMP15
SCHEMBL8948818 0.74 SMN1; SMN2 (0.46) SLC22A6
SCHEMBL30201505 0.74 HDAC1 (0.49) CA2CA1SLC1A3SLC1A2SLC1A1

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-0034842-B1 LIQUID COMPOSITION FOR PHOSPHATING METAL SURFACES AKZO N.V. (NL) 1984-01-04 EP claimed