SCHEMBL7558866

SCHEMBL7558866

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.43
LTA4H P09960 3/20 0.42
NR5A1 Q13285 1/20 0.42
RARA P10276 1/20 0.41
ESR2 Q92731 2/20 0.37
ESR1 P03372 3/20 0.36
CYP2D6 P10635 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1H2 P55055 1/20 0.36
RNASEL Q05823 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
CYP3A4 P08684 1/20 0.35
APP P05067 1/20 0.34

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
SCHEMBL7561627 0.96 LTA4H (0.45) RARBLTA4HNR5A1RARAESR2
SCHEMBL8542103 0.88 ESR2 (0.41) LTA4HESR2MAPK1SMN1; SMN2APP
SCHEMBL7558883 0.84 LTA4H (0.37) RARBLTA4HNR5A1RARAESR2
SCHEMBL8540087 0.81 RARB (0.42) RARBRARAHDAC1HDAC2HDAC3
SCHEMBL8544730 0.80 RARB (0.41) RARBRARACYP2D6CYP1A2TSHR
SCHEMBL8545577 0.80 RARB (0.41) RARBRARAHDAC1HDAC2HDAC3
SCHEMBL8545227 0.79 RARB (0.40) RARBRARATSHRMAPK1HDAC1
SCHEMBL8545316 0.79 RARB (0.44) RARBRARAESR1CYP2D6LMNA
SCHEMBL8541991 0.78 RARB (0.39) RARBRARATSHRMAPK1HDAC1
SCHEMBL7557758 0.76 NPC1 (0.48) LTA4HNR5A1CYP2D6LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638112-B1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING & MFG (US) 2002-08-07 EP disclosed
EP-0792255-B1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING & MFG (US) 2001-02-28 EP disclosed
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