SCHEMBL18399451

SCHEMBL18399451

CC(O)(c1cc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)ccc1O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.56
ESR2 Q92731 6/20 0.56
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 2/20 0.49
TYR P14679 2/20 0.49
ALOX15 P16050 2/20 0.49
NR1I2 O75469 1/20 0.49
CYP2C9 P11712 1/20 0.49
MIF P14174 1/20 0.49
HTT P42858 1/20 0.49
NFE2L2 Q16236 1/20 0.49
HSP90AA1 P07900 1/20 0.41
HPGD P15428 2/20 0.37
CYP3A4 P08684 2/20 0.37
AR P10275 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL18399455 0.94 ALDH1A1 (0.46) ESR1ESR2ALDH1A1HSD17B10LMNA
SCHEMBL25933462 0.87 ESR1 (0.60) ESR1ESR2ALDH1A1HSD17B10LMNA
SCHEMBL18399461 0.86 ESR1 (0.52) ESR1ESR2ALDH1A1HSD17B10LMNA
SCHEMBL18399442 0.86 ESR1 (0.52) ESR1ESR2ALDH1A1HSD17B10LMNA
SCHEMBL18400612 0.84 ESR1 (0.60) ESR1ESR2ALDH1A1HSD17B10LMNA
SCHEMBL25933574 0.83 ESR1 (0.64) ESR1ESR2ALDH1A1HSD17B10LMNA
SCHEMBL18399450 0.82 ESR1 (0.52) ESR1ESR2ALDH1A1HSD17B10LMNA
SCHEMBL17300225 0.81 ALDH1A1 (0.55) ESR1ESR2ALDH1A1HSD17B10LMNA
SCHEMBL18399444 0.81 ESR1 (0.57) ESR1ESR2ALDH1A1HSD17B10LMNA
SCHEMBL18399445 0.81 ESR1 (0.43) ESR1ESR2ALDH1A1HSD17B10LMNA

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