SCHEMBL18399446

SCHEMBL18399446

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.60
SIRT1 Q96EB6 1/20 0.47
ABCC9 O60706 5/20 0.45
ABCC8 Q09428 5/20 0.45
KCNJ11 Q14654 5/20 0.45
KCNJ8 Q15842 5/20 0.45
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
HSP90AB1 P08238 7/20 0.43
HSP90B1 P14625 1/20 0.41
NR1I2 O75469 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
MIF P14174 1/20 0.40
TYR P14679 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL18399458 0.94 HSP90AA1 (0.55) HSP90AA1SIRT1ABCC9ABCC8KCNJ11
SCHEMBL18400613 0.82 HSP90AA1 (0.43) HSP90AA1SIRT1ABCC9ABCC8KCNJ11
SCHEMBL10002090 0.81 SMN1; SMN2 (0.44) HSP90AA1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL18399443 0.78 HSP90AA1 (0.48) HSP90AA1NR1I2ALDH1A1LMNACYP2C9
SCHEMBL18400610 0.77 HTT (0.48) HSP90AA1SIRT1ABCC9ABCC8KCNJ11
SCHEMBL10002086 0.76 PDK1 (0.40) HSP90AA1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL18399450 0.75 ESR1 (0.52) HSP90AA1NR1I2ALDH1A1LMNACYP2C9
SCHEMBL18399449 0.75 HSD11B1 (0.51) HSP90AA1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL10428425 0.75 SIRT1 (0.54) HSP90AA1SIRT1ABCC9ABCC8KCNJ11
SCHEMBL18399455 0.74 ALDH1A1 (0.46) HSP90AA1NR1I2ALDH1A1LMNACYP2C9

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