SCHEMBL18399459

SCHEMBL18399459

CC(O)(c1cc(Oc2ccc(O)cc2)ccc1O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 3/20 0.49
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 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
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
NFE2L2 Q16236 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
LTA4H P09960 5/20 0.42
HSP90AA1 P07900 1/20 0.41
NR1H2 P55055 1/20 0.39
BAX Q07812 1/20 0.39

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
SCHEMBL18399457 0.94 ESRRA (0.50) ESRRAALDH1A1GAANR1I2LMNA
SCHEMBL18399486 0.89 ESRRA (0.47) ESRRAALDH1A1GAANR1I2LMNA
SCHEMBL18400618 0.84 MEN1 (0.47) ESRRAALDH1A1GAANR1I2LMNA
SCHEMBL18399485 0.83 ESRRA (0.54) ESRRAALDH1A1GAANR1I2LMNA
SCHEMBL18399441 0.79 NR1I2 (0.48) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL15831658 0.77 AR (0.40) ESRRALMNAKMT2AAR
SCHEMBL18400617 0.76 ESRRA (0.45) ESRRAALDH1A1LMNAALOX15HTT
SCHEMBL18399442 0.76 ESR1 (0.52) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL18399461 0.76 ESR1 (0.52) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL10002083 0.76 SMN1; SMN2 (0.45) ESRRAALDH1A1GAAMEN1KMT2A

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