SCHEMBL28058249

SCHEMBL28058249

O=S([Mo])Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
TSHR P16473 1/20 0.41
CA4 P22748 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
SRC P12931 1/20 0.36
KCNA3 P22001 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALOX15 P16050 1/20 0.34
EPHX2 P34913 1/20 0.33
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR1H2 P55055 1/20 0.32
BAX Q07812 1/20 0.32
MAOA P21397 1/20 0.32
GSTP1 P09211 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
SCHEMBL775482 0.78 LTA4H (0.45) LTA4HTSHRCA4CA1CA2
SCHEMBL9846743 0.74 LTA4H (0.41) LTA4HTSHRCA4CA1CA2
SCHEMBL496889 0.74 LTA4H (0.41) LTA4HTSHRCA4CA1CA2
SCHEMBL9846739 0.74 LTA4H (0.41) LTA4HTSHRCA4CA1CA2
SCHEMBL5846748 0.74 LTA4H (0.41) LTA4HTSHRCA4CA1CA2
SCHEMBL29524127 0.74 LTA4H (0.41) LTA4HTSHRCA4CA1CA2
SCHEMBL13937490 0.74 CA4 (0.43) LTA4HTSHRCA4CA1CA2
SCHEMBL4273424 0.72 LTA4H (0.39) LTA4HTSHRCA4CA1CA2
Potassium Ion SCHEMBL28545709 0.72 LTA4H (0.39) LTA4HTSHRCA4CA1CA2
SCHEMBL28184900 0.72 CA4 (0.42) LTA4HTSHRCA4CA1CA2

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
CN-105368487-A Ultrasonic treatment for processing hydrocarbons ROGER K LOTT 2016-03-02 CN disclosed