SCHEMBL18399441

SCHEMBL18399441

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP2C9 P11712 1/20 0.48
MIF P14174 1/20 0.48
TYR P14679 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
NFE2L2 Q16236 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALOX5 P09917 1/20 0.47
KIF11 P52732 2/20 0.46
AR P10275 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSD17B1 P14061 5/20 0.42
HSD17B2 P37059 5/20 0.42
ESR1 P03372 9/20 0.41
ESR2 Q92731 7/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL18399443 0.93 HSP90AA1 (0.48) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL18399488 0.88 HSP90AA1 (0.45) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL18399438 0.85 HSP90AA1 (0.43) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL18400649 0.82 ALOX5 (0.50) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL18399461 0.80 ESR1 (0.52) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL18399442 0.80 ESR1 (0.52) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL1237149 0.80 ALDH1A1 (0.69) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL2721125 0.80 ALDH1A1 (0.69) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL18399451 0.79 ESR1 (0.56) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL18399459 0.79 ESRRA (0.49) NR1I2ALDH1A1LMNACYP2C9MIF

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