SCHEMBL6932679

SCHEMBL6932679

O=S(=O)(O)c1cc(S(=O)(=O)O)c(OCCO)cc1OCCO.[NaH]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
INPPL1 O15357 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
IDO1 P14902 1/20 0.33
RIPK2 O43353 1/20 0.33
LOX P28300 1/20 0.33
AOC3 Q16853 1/20 0.33
RECQL P46063 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAK O14976 1/20 0.32
S1PR3 Q99500 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL7595797 0.98 INPPL1 (0.34) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL1603108 0.81 CA1 (0.41) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL6932671 0.79 DUSP5 (0.39) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL17970162 0.79 CA1 (0.42) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL259715 0.79 CA1 (0.42) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL9360694 0.78 CA1 (0.41) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL9812902 0.78 HSD17B10 (0.45) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL22435423 0.78 TSHR (0.43) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL6934634 0.76 S1PR3 (0.33) TUBB1CYP3A4SMN1; SMN2S1PR3
SCHEMBL14817875 0.76 ALDH1A1 (0.38) GAAALDH1A1KMT2AMEN1POLB

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
US-20030162866-A1 Compositions based on phenolic derivatives and their use as mineral binder additives RHODIA CHIMIE (FR) 2003-08-28 US disclosed