SCHEMBL7558570

SCHEMBL7558570

CCCCOC(C)OC(F)(F)C(F)(F)Oc1ccc2cc(O)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.35
NR5A1 Q13285 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
ESR1 P03372 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7561656 0.89 LTA4H (0.43) LTA4HNR5A1MEN1NPC1ALDH1A1
SCHEMBL7557759 0.85 LTA4H (0.40) LTA4HNR5A1CYP2C19CYP3A4ESR1
SCHEMBL8544776 0.78 NPC1 (0.41) LTA4HNR5A1MEN1NPC1ALDH1A1
SCHEMBL7558883 0.78 LTA4H (0.37) LTA4HNR5A1MEN1NPC1ALDH1A1
SCHEMBL6966979 0.77 NPC1 (0.42) LTA4HNR5A1NPC1ALDH1A1MAPT
SCHEMBL8540324 0.74 RAB9A (0.40) LTA4HNR5A1MEN1NPC1ALDH1A1
SCHEMBL9704804 0.70 LTA4H (0.61) LTA4HNR5A1MEN1NPC1ALDH1A1
SCHEMBL7059563 0.69 CES1 (0.33)
SCHEMBL8768555 0.68 CYP1A2 (0.35) MEN1MAPTKMT2ACYP3A4TRPV1
SCHEMBL6048619 0.68 MEN1 (0.58) LTA4HNR5A1MEN1NPC1ALDH1A1

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 9 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-0792255-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-09-03 EP disclosed
WO-1996015092-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-23 WO disclosed
US-5482650-A Liquid crystal compounds having perfluoroether terminal portions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-09 US disclosed
US-5437812-A Achiral and having low-temperature smectic mesophases or or latent smectic mesophases; used in mixtures with fluorinated liquid crystals; low birefringence and viscosity; high speed switches; stability MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-08-01 US disclosed
US-5262082-A Ferroelectric liquid crystal compounds having perfluoroether terminal portions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-11-16 US disclosed
WO-1993022396-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-11-11 WO disclosed