SCHEMBL8768624

SCHEMBL8768624

Oc1ccc(OC(F)(F)C(F)(F)OC(F)(F)CF)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
APP P05067 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
LTA4H P09960 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGS2 P35354 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HIF1A Q16665 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NR1H2 P55055 1/20 0.31
BAX Q07812 1/20 0.31

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
SCHEMBL8768568 0.95 ESR2 (0.39) MEN1KMT2AKDM4EESR1ESR2
SCHEMBL8768555 0.85 CYP1A2 (0.35) MEN1KMT2AESR1ESR2CYP1A2
SCHEMBL3271256 0.83 ESR1 (0.42) MEN1KMT2AKDM4EESR1ESR2
SCHEMBL7561242 0.76 MEN1 (0.37) MEN1KMT2AKDM4EESR1ESR2
SCHEMBL75387 0.74 ESR2 (0.46) MEN1KMT2AKDM4EESR1ESR2
SCHEMBL6466370 0.71 MAPT (0.34) MEN1KMT2ALMNASLC6A2SLC6A3
SCHEMBL9578601 0.71 ESR2 (0.42) MEN1KMT2AKDM4EESR1ESR2
SCHEMBL6727211 0.71
SCHEMBL7563950 0.69 ESR2 (0.41) MEN1KMT2AKDM4EESR1ESR2
SCHEMBL221511 0.69 MAPT (0.52) MEN1KMT2AKDM4EESR1ESR2

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
EP-0792255-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-09-03 EP disclosed
EP-0638112-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-15 EP disclosed