SCHEMBL4621023

SCHEMBL4621023

Cc1ccc(S(=O)(=O)OCC2CO2)cc1.O=C(O)c1ccc([N+](=O)[O-])cc1CC1CO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
STAT3 P40763 3/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
GPR17 Q13304 1/20 0.38
PKM P14618 1/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 3/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 4/20 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
SCHEMBL4621022 1.00 PRMT5 (0.54) PRMT5WDR77STAT3CTDSP1SIRT5
SCHEMBL2967503 0.84 ALDH1A1 (0.50) PRMT5WDR77ALDH1A1CYP3A4ALOX15
SCHEMBL14762196 0.84 ALDH1A1 (0.50) PRMT5WDR77ALDH1A1CYP3A4ALOX15
SCHEMBL8898161 0.84 ALDH1A1 (0.50) PRMT5WDR77ALDH1A1CYP3A4ALOX15
SCHEMBL9645456 0.77 PRMT5 (0.72) PRMT5WDR77PKMALDH1A1LMNA
SCHEMBL1164097 0.77 PRMT5 (0.72) PRMT5WDR77PKMALDH1A1LMNA
SCHEMBL2967442 0.77 PRMT5 (0.72) PRMT5WDR77PKMALDH1A1LMNA
SCHEMBL439063 0.75 PRMT5 (0.54) PRMT5WDR77STAT3PKMALDH1A1
SCHEMBL450879 0.75 PRMT5 (0.54) PRMT5WDR77STAT3PKMALDH1A1
SCHEMBL439062 0.75 PRMT5 (0.54) PRMT5WDR77STAT3PKMALDH1A1

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
EP-1885849-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE GLYCIDYL ETHERS AND OPTICALLY ACTIVE VICINAL DIOLS FROM RACEMIC SUBSTRATES Oxyrane UK Limited (GB) 2008-02-13 EP disclosed
WO-2006109198-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE GLYCIDYL ETHERS AND OPTICALLY ACTIVE VICINAL DIOLS FROM RACEMIC SUBSTRATES OXYRANE UK LIMITED (GB) 2006-10-19 WO disclosed