SCHEMBL28102709

SCHEMBL28102709

CCCCCCCSOS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.42
CES2 O00748 1/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
BLM P54132 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 8/20 0.38
CA9 Q16790 6/20 0.36
LPAR3 Q9UBY5 3/20 0.36
FDPS P14324 3/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
CA12 O43570 2/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36

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
SCHEMBL28758317 1.00 CA2 (0.42) CA2CES2GMNNTP53POLB
SCHEMBL7715442 1.00 CA2 (0.42) CA2CES2GMNNTP53POLB
SCHEMBL5136293 1.00 CA2 (0.42) CA2CES2GMNNTP53POLB
SCHEMBL5136467 1.00 CA2 (0.42) CA2CES2GMNNTP53POLB
SCHEMBL27644874 1.00 CA2 (0.42) CA2CES2GMNNTP53POLB
SCHEMBL5138135 1.00 CA2 (0.42) CA2CES2GMNNTP53POLB
SCHEMBL10707750 0.98 CA2 (0.41) CA2CES2GMNNTP53POLB
SCHEMBL5856225 0.98 CA2 (0.39) CA2CES2GMNNTP53POLB
SCHEMBL10425429 0.91 TP53 (0.33) CA2TP53CA1CA9LPAR3
SCHEMBL5078809 0.86 PPARA (0.46) GMNNTP53POLBMAPTCYP2C9

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-103804725-B Tyre element and manufacture method thereof 东洋橡胶工业株式会社 2016-10-26 CN disclosed