SCHEMBL7150252

SCHEMBL7150252

CO[C@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@H](OC)[C@@H]1NC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA9 Q16790 6/20 0.44
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 2/20 0.38
LGALS3 P17931 2/20 0.38
MMP9 P14780 2/20 0.38
MMP12 P39900 2/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
STAT3 P40763 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7150248 0.92 CA1 (0.50) CA1CA2CA9ALDH1A1MEN1
SCHEMBL7642536 0.92 CA1 (0.50) CA1CA2CA9ALDH1A1MEN1
SCHEMBL4306018 0.83 LGALS3 (0.47) CA1CA2CA9CYP3A4LGALS3
SCHEMBL18408882 0.80 HPSE (0.50)
SCHEMBL7155559 0.80 HPSE (0.50)
SCHEMBL7155560 0.80 HPSE (0.50)
SCHEMBL7149766 0.79 HPSE (0.52)
SCHEMBL7149771 0.79 HPSE (0.52)
SCHEMBL7147914 0.77 L3MBTL1 (0.51) CA1CA2CA9ALDH1A1MEN1
SCHEMBL5680059 0.77 LGALS3 (0.49) CA1CA2CA9CYP3A4LGALS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562514-B1 Stabilized vanadium electrolyte solutions for all-vanadium redox cells and batteries PINNACLE VRB LIMITED (AU) 2003-05-13 US disclosed
US-6468688-B2 CHARGING, DISCHARGING EFFICIENCY; VANADIUM ELECTROLYTE PINNACLE VRB LIMITED (AU) 2002-10-22 US disclosed
US-20010028977-A1 Charging, discharging efficiency; vanadium electrolyte JD HOLDING INC. (KY) 2001-10-11 US disclosed
US-6143443-A ALL-VANADIUM REDOX BATTERY, COMPRISING THE STABILIZED ELECTROLYTE PINNACLE ARB LIMITED (AU) 2000-11-07 US disclosed