SCHEMBL18399448

SCHEMBL18399448

CC(O)(c1cc(S(=O)(=O)c2ccc(O)cc2)ccc1O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.50
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47
GAA P10253 3/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
POLB P06746 2/20 0.44
ELANE P08246 1/20 0.43
GFER P55789 1/20 0.43
HSP90AA1 P07900 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
MIF P14174 1/20 0.42
TYR P14679 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
NFE2L2 Q16236 1/20 0.42

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
SCHEMBL18399449 0.94 HSD11B1 (0.51) HSD11B1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL18400614 0.85 GAA (0.42) HSD11B1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL10527665 0.83 ALDH1A1 (0.58) GAAALDH1A1PKMPOLBELANE
SCHEMBL18400611 0.78 GAA (0.47) HSD11B1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL12126465 0.77 HSD11B1 (0.50) HSD11B1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL18399441 0.76 NR1I2 (0.48) ALDH1A1HSP90AA1NR1I2LMNACYP2C9
SCHEMBL2595702 0.76 ALDH1A1 (0.55) GAAALDH1A1PKMPOLBHSP90AA1
SCHEMBL10788397 0.76 ALDH1A1 (0.55) GAAALDH1A1PKMPOLBHSP90AA1
SCHEMBL18399444 0.75 ESR1 (0.57) HSD11B1GAAALDH1A1POLBGFER
SCHEMBL18399458 0.75 HSP90AA1 (0.55) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1

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
US-20170088666-A1 Fluorine-Containing Polymerizable Monomer and Polymer Compound Using Same CENTRAL GLASS COMPANY, LIMITED (JP) 2017-03-30 US disclosed
US-9550711-B2 Fluorine-containing polymerizable monomer and polymer compound using same CENTRAL GLASS COMPANY, LIMITED (JP) 2017-01-24 US disclosed