SCHEMBL7720554

SCHEMBL7720554

O=C(O)CC(SO)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
CPB1 P15086 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.41
ALDH1A1 P00352 3/20 0.39
POLB P06746 3/20 0.39
KDM4E B2RXH2 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
FOLH1 Q04609 2/20 0.37
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 1/20 0.36
GABRR1 P24046 2/20 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
SCHEMBL10729283 0.80 TDP1 (0.48) TDP1CPB1SMN1; SMN2SLC22A6ALDH1A1
SCHEMBL630577 0.80 TDP1 (0.48) TDP1CPB1SMN1; SMN2SLC22A6ALDH1A1
Hydrogen Sulfide SCHEMBL11546403 0.78 TDP1 (0.46) TDP1CPB1SMN1; SMN2SLC22A6ALDH1A1
SCHEMBL10933514 0.76 CPB1 (0.62) TDP1CPB1SMN1; SMN2SLC22A6ALDH1A1
SCHEMBL20872375 0.76 TDP1 (0.43) TDP1CPB1SMN1; SMN2SLC22A6ALDH1A1
SCHEMBL8948260 0.76 TDP1 (0.50) TDP1CPB1SMN1; SMN2SLC22A6ALDH1A1
SCHEMBL11410949 0.76 TDP1 (0.43) TDP1CPB1SMN1; SMN2SLC22A6ALDH1A1
SCHEMBL5841242 0.76 TDP1 (0.43) TDP1CPB1SMN1; SMN2SLC22A6ALDH1A1
SCHEMBL17874 0.76 TDP1 (0.43) TDP1CPB1SMN1; SMN2SLC22A6ALDH1A1
SCHEMBL19882084 0.76 TDP1 (0.43) TDP1CPB1SMN1; SMN2SLC22A6ALDH1A1

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-6380434-B1 HYDROXYLATION; AMINATION SETHNANOTECHNOLOGY, INCORPORATED 2002-04-30 US disclosed
US-6046361-A Polyorganofullerenes SETHNANOTECHNOLOGY, INCORPORATED 2000-04-04 US disclosed
US-6020523-A Polyorganofullerenes SETHNANOTECHNOLOGY, INCORPORATED 2000-02-01 US disclosed
EP-0919520-A2 Fullernes substituted by several organic groups Chiang, Long Y. (TW) 1999-06-02 EP disclosed