SCHEMBL27872253

SCHEMBL27872253

CC(SC(CC(=O)O)C(=O)O)C(=O)O.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
POLB P06746 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
BHMT Q93088 1/20 0.34
KDM4E B2RXH2 2/20 0.34
APOBEC3G Q9HC16 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL1900380 0.98 CPB1 (0.39) CPB1TDP1POLBNPSR1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL2546319 0.96 TDP1 (0.42) CPB1TDP1POLBNPSR1SMN1; SMN2
SCHEMBL11940979 0.82 TDP1 (0.40) CPB1TDP1POLBNPSR1SMN1; SMN2
SCHEMBL10729283 0.81 TDP1 (0.48) CPB1TDP1POLBNPSR1SMN1; SMN2
SCHEMBL27959737 0.80 SMN1; SMN2 (0.42) CPB1TDP1POLBNPSR1SMN1; SMN2
Hydrogen Sulfide SCHEMBL11546403 0.79 TDP1 (0.46) CPB1TDP1POLBNPSR1SMN1; SMN2
SCHEMBL8416807 0.76 POLB (0.39) CPB1TDP1POLBNPSR1SMN1; SMN2
SCHEMBL5188914 0.75 TDP1 (0.42) CPB1TDP1POLBNPSR1SMN1; SMN2
SCHEMBL12800826 0.74 TDP1 (0.40) CPB1TDP1POLBNPSR1SMN1; SMN2
SCHEMBL78432 0.72 TP53 (0.47) ALDH1A1KDM4ECYP1A2

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
CN-102634855-B Natural nanometer material composition for one-bath degumming and bleaching of fibrilia ZHU HONGZHE 2013-12-11 CN claimed
CN-102634855-B Natural nanometer material composition for one-bath degumming and bleaching of fibrilia ZHU HONGZHE 2013-12-11 CN disclosed
CN-102634855-B Natural nanometer material composition for one-bath degumming and bleaching of fibrilia ZHU HONGZHE 2013-12-11 CN disclosed
CN-102634855-A Natural nanometer material composition for one-bath degumming and bleaching of fibrilia HONGZHE ZHU 2012-08-15 CN disclosed