SCHEMBL27741307

SCHEMBL27741307

CCC(CC)(c1ccc(S(=O)(=O)OC)cc1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.34
HSD17B3 P37058 1/20 0.34
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
PTPN1 P18031 1/20 0.32
MMP2 P08253 3/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
MMP14 P50281 2/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 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
SCHEMBL9720805 0.83 ENPP2 (0.42) PTPN1KMT2APTGS2
SCHEMBL7870277 0.82 PGK1 (0.44) PGK1PGK2PTPN1ALDH1A1MEN1
SCHEMBL2637114 0.79 LMNA (0.41) HSD11B1PGK1PGK2PTPN1ALDH1A1
SCHEMBL2164428 0.78 CA1 (0.44) CA12CA9CA14ALDH1A1MEN1
SCHEMBL5859053 0.77 PTPN5 (0.46) PGK1PGK2PTPN1
SCHEMBL2382743 0.75 TSHR (0.43) PGK1PGK2CA12MMP8ALDH1A1
SCHEMBL8470305 0.75 PGK1 (0.39) PGK1PGK2PTPN1ALDH1A1MEN1
SCHEMBL272507 0.74 MAPT (0.54) PTPN1CA12CA9CA14ALDH1A1
SCHEMBL17311345 0.74 PGK1 (0.38) PGK1PGK2PTPN1
SCHEMBL1353298 0.74 PGK1 (0.47) PGK1PGK2PTPN1MMP2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101418017-B Method for synthesizing (R)-9-(2-phosphate methoxy propyl)adenine SHANGHAI AURISCO INTERNAT TRADE CO LTD 2011-07-20 CN disclosed
CN-101418017-A Method for synthesizing (R)-9-(2-phosphate methoxy propyl)adenine SHANGHAI AURISCO CO LTD (CN) 2009-04-29 CN disclosed