SCHEMBL18399449

SCHEMBL18399449

CC(O)(c1cc(S(=O)(=O)c2ccc(O)c(C(C)(O)C(F)(F)F)c2)ccc1O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.51
HSP90AA1 P07900 1/20 0.46
ABCC9 O60706 1/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KCNJ8 Q15842 1/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL18399448 0.94 HSD11B1 (0.50) HSD11B1HSP90AA1ABCC9ABCC8KCNJ11
SCHEMBL18400611 0.83 GAA (0.47) HSD11B1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL12126465 0.82 HSD11B1 (0.50) HSD11B1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL10788397 0.80 ALDH1A1 (0.55) HSP90AA1GAAMAPTALDH1A1PKM
SCHEMBL2595702 0.80 ALDH1A1 (0.55) HSP90AA1GAAMAPTALDH1A1PKM
SCHEMBL18400614 0.78 GAA (0.42) HSD11B1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL18399443 0.77 HSP90AA1 (0.48) HSP90AA1ALDH1A1
SCHEMBL18399446 0.75 HSP90AA1 (0.60) HSP90AA1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL10527665 0.75 ALDH1A1 (0.58) GAAMAPTALDH1A1PKM
SCHEMBL18399450 0.74 ESR1 (0.52) HSD11B1HSP90AA1GAAMAPTALDH1A1

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