SCHEMBL8542103

SCHEMBL8542103

COCCOCCOC(F)(F)C(F)(F)Oc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABL1 P00519 2/20 0.35
ABCB1 P08183 2/20 0.35
BCR P11274 2/20 0.35
APP P05067 2/20 0.35
KIF11 P52732 2/20 0.34
MIF P14174 1/20 0.34
AURKA O14965 1/20 0.33
TPX2 Q9ULW0 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL7558866 0.88 RARB (0.43) ESR2APPKIF11MAPK1SMN1; SMN2
SCHEMBL8620150 0.87 MAPT (0.39) KDM4EMEN1KMT2AKIF11TP53
SCHEMBL7561627 0.83 LTA4H (0.45) ESR2KDM4EMEN1KMT2AAPP
SCHEMBL16305604 0.76 APP (0.53) ESR2KDM4EABL1ABCB1BCR
SCHEMBL7558883 0.72 LTA4H (0.37) ESR2KDM4EMEN1KMT2ANPC1
SCHEMBL842057 0.70 APP (0.57) KDM4EAPPMIFLTA4H
SCHEMBL1478767 0.70 APP (0.57) KDM4EAPPMIFLTA4H
SCHEMBL16305613 0.70 APP (0.57) KDM4EAPPMIFLTA4H
SCHEMBL7917011 0.70 ESR2 (0.57) ESR2ABL1ABCB1BCRAPP
SCHEMBL8768568 0.69 ESR2 (0.39) ESR2KDM4EMEN1KMT2AABL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736078-B1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING & MFG (US) 1998-06-24 EP disclosed
EP-0736078-A1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-10-09 EP disclosed
US-5474705-A Electrooptical displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-12-12 US disclosed
WO-1995017481-A1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-06-29 WO disclosed