SCHEMBL28280787

SCHEMBL28280787

Oc1ccc(C(c2cccc(C(c3ccc(O)cc3)(C(F)(F)F)C(F)(F)F)c2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.75
ESR2 Q92731 10/20 0.75
KIF11 P52732 1/20 0.43
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
LMNA P02545 1/20 0.38
TYR P14679 1/20 0.38
AR P10275 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR6 P50406 1/20 0.38
ESRRG P62508 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HSD17B10 Q99714 1/20 0.38
P4HB P07237 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL7940618 0.92 ESR1 (0.69) ESR1ESR2KIF11CYP3A4ALDH1A1
SCHEMBL9216797 0.87 ESR1 (0.62) ESR1ESR2KIF11CYP3A4ALDH1A1
SCHEMBL8488305 0.87 ESR1 (0.82) ESR1ESR2KIF11CYP3A4ALDH1A1
SCHEMBL3686864 0.87 ESR1 (1.00) ESR1ESR2KIF11CYP3A4ALDH1A1
SCHEMBL4560440 0.87 ESR1 (1.00) ESR1ESR2KIF11CYP3A4ALDH1A1
SCHEMBL21027 0.87 ESR1 (1.00) ESR1ESR2KIF11CYP3A4ALDH1A1
Potassium SCHEMBL30701764 0.84 ESR1 (0.95) ESR1ESR2KIF11CYP3A4ALDH1A1
SCHEMBL30625966 0.84 ESR1 (0.95) ESR1ESR2KIF11CYP3A4ALDH1A1
SCHEMBL544972 0.83 ESR1 (0.54) ESR1ESR2KIF11CYP3A4ALDH1A1
SCHEMBL30235748 0.83 ESR1 (0.54) ESR1ESR2KIF11CYP3A4ALDH1A1

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
CN-109516929-A A kind of preparation method of fluorine-containing cyanate ester monomer 中国航空工业集团公司济南特种结构研究所 2019-03-26 CN claimed
CN-109516929-A A kind of preparation method of fluorine-containing cyanate ester monomer 中国航空工业集团公司济南特种结构研究所 2019-03-26 CN disclosed