SCHEMBL18399460

SCHEMBL18399460

CC(O)(c1cc(Sc2ccc(O)cc2)ccc1O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
MIF P14174 1/20 0.44
TYR P14679 1/20 0.44
HTT P42858 1/20 0.44
NFE2L2 Q16236 1/20 0.44
NR1H2 P55055 1/20 0.44
HSP90AA1 P07900 1/20 0.41
MLYCD O95822 1/20 0.38
MAPK14 Q16539 1/20 0.34
GAA P10253 2/20 0.33
AR P10275 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL18399463 0.94 HSP90AA1 (0.45) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL18399484 0.89 HSP90AA1 (0.42) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL18400633 0.84 NR1H2 (0.47) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL18399487 0.83 NR1H2 (0.50) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL18399441 0.79 NR1I2 (0.48) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL18400632 0.76 MLYCD (0.44) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL18399461 0.76 ESR1 (0.52) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL18399442 0.76 ESR1 (0.52) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL10002081 0.76 SMN1; SMN2 (0.45) ALDH1A1LMNAHTTHSP90AA1MLYCD
SCHEMBL18399451 0.75 ESR1 (0.56) ALDH1A1ALOX15HSD17B10NR1I2LMNA

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