SCHEMBL18399463

SCHEMBL18399463

CC(O)(c1cc(Sc2ccc(O)c(C(C)(O)C(F)(F)F)c2)ccc1O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
ALDH1A1 P00352 5/20 0.41
ALOX15 P16050 4/20 0.41
HSD17B10 Q99714 2/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
MIF P14174 1/20 0.41
TYR P14679 1/20 0.41
HTT P42858 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MLYCD O95822 1/20 0.39
AR P10275 7/20 0.36
MAPT P10636 3/20 0.32
HPN P05981 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
BCL2 P10415 2/20 0.32
MCL1 Q07820 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL18399484 0.95 HSP90AA1 (0.42) HSP90AA1ALDH1A1ALOX15HSD17B10NR1I2
SCHEMBL18399460 0.94 ALDH1A1 (0.44) HSP90AA1ALDH1A1ALOX15HSD17B10NR1I2
SCHEMBL18400632 0.81 MLYCD (0.44) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL10002081 0.81 SMN1; SMN2 (0.45) HSP90AA1ALDH1A1LMNAHTTMLYCD
SCHEMBL18399443 0.79 HSP90AA1 (0.48) HSP90AA1ALDH1A1ALOX15HSD17B10NR1I2
SCHEMBL316680 0.79 ALDH1A1 (0.59) HSP90AA1ALDH1A1ALOX15HSD17B10NR1I2
SCHEMBL9297786 0.79 HSD17B1 (0.42) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL18399450 0.76 ESR1 (0.52) HSP90AA1ALDH1A1ALOX15HSD17B10NR1I2
SCHEMBL18400633 0.76 NR1H2 (0.47) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL10002094 0.76 CYP3A4 (0.42) ALDH1A1MLYCDARMAPTMEN1

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