SCHEMBL27643264

SCHEMBL27643264

CCCCCCCCCCCCc1ccccc1-c1cccc(S(=O)(=O)OC)c1S(=O)(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
PPARA Q07869 2/20 0.40
ELANE P08246 3/20 0.40
LIPG Q9Y5X9 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
PTPN1 P18031 1/20 0.38
CTSG P08311 1/20 0.38
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
PPARG P37231 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
SAE1 Q9UBE0 1/20 0.37

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
SCHEMBL27643276 0.93 PPARA (0.41) NR1H2NR1H3PPARAELANELIPG
SCHEMBL27828518 0.83 LIPG (0.47) NR1H2NR1H3PPARALIPGALOX5
SCHEMBL4254236 0.83 LIPG (0.47) NR1H2NR1H3PPARALIPGALOX5
SCHEMBL30336445 0.82 LIPG (0.46) NR1H2NR1H3PPARALIPGALOX5
SCHEMBL6064779 0.82 LIPG (0.46) NR1H2NR1H3PPARALIPGALOX5
SCHEMBL9452105 0.82 LIPG (0.46) NR1H2NR1H3PPARALIPGALOX5
Ammonia Solution, Strong SCHEMBL2109748 0.82 LIPG (0.46) NR1H2NR1H3PPARALIPGALOX5
SCHEMBL6363841 0.82 LIPG (0.46) NR1H2NR1H3PPARALIPGALOX5
SCHEMBL28054822 0.80 LIPG (0.45) NR1H2NR1H3PPARAELANELIPG
SCHEMBL1594278 0.80 LIPG (0.45) NR1H2NR1H3PPARAELANELIPG

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-100354258-C Bialkylbiphenyl sodium disulfonate, and its preparing method XIHUA NORMAL UNIV (CN) 2007-12-12 CN disclosed
CN-1850795-A Bialkylbiphenyl sodium disulfonate, and its preparing method XIHUA NORMAL UNIV (CN) 2006-10-25 CN disclosed