SCHEMBL5569847

SCHEMBL5569847

CCC(O)(O)OS(=O)(=O)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 2/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.41
HSD11B1 P28845 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
ALDH1A1 P00352 4/20 0.38
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HCRTR2 O43614 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 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
SCHEMBL4195761 0.81 PTPN1 (0.41) KMT2AGAAMEN1ESR1ESR2
SCHEMBL6896601 0.80 KMT2A (0.38) KMT2AGAAMEN1ESR1ESR2
SCHEMBL582357 0.74 KMT2A (0.44) KMT2AGAAMEN1ESR1ESR2
SCHEMBL6900077 0.74 MAPK1 (0.45) KMT2AGAAMEN1ESR1ESR2
SCHEMBL8984873 0.74 KMT2A (0.51) KMT2AGAAMEN1ESR1ESR2
SCHEMBL16223381 0.73 KMT2A (0.41) KMT2AGAAMEN1ESR1ESR2
SCHEMBL9803 0.73 KMT2A (0.49) KMT2AGAAMEN1ESR1ESR2
SCHEMBL31515627 0.73 KMT2A (0.49) KMT2AGAAMEN1ESR1ESR2
SCHEMBL7340052 0.73 POLB (0.49) KMT2AGAAMEN1ESR1ESR2
SCHEMBL28865581 0.72 KMT2A (0.40) KMT2AGAAMEN1ESR1ESR2

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-1824805-A1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS Futurechem Co., Ltd. (KR) 2007-08-29 EP disclosed
WO-2006065038-A1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS FUTURECHEM CO., LTD. (KR) 2006-06-22 WO disclosed