SCHEMBL7557759

SCHEMBL7557759

CCCCOC(C)OC(F)(F)C(F)(F)Oc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.40
NR5A1 Q13285 1/20 0.40
ESR1 P03372 2/20 0.38
CYP2D6 P10635 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ESR2 Q92731 1/20 0.35
RARB P10826 5/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
CYP3A4 P08684 1/20 0.33
GPR84 Q9NQS5 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 0.96 LTA4H (0.43) LTA4HNR5A1ESR1CYP2D6LMNA
SCHEMBL8544776 0.87 NPC1 (0.41) LTA4HNR5A1ESR1CYP2D6LMNA
SCHEMBL6966979 0.86 NPC1 (0.42) LTA4HNR5A1CYP2D6LMNATSHR
SCHEMBL7558570 0.85 LTA4H (0.35) LTA4HNR5A1ESR1CYP2D6LMNA
SCHEMBL8540324 0.83 RAB9A (0.40) LTA4HNR5A1TSHRSMN1; SMN2RARB
SCHEMBL7558866 0.76 RARB (0.43) LTA4HNR5A1ESR1CYP2D6LMNA
SCHEMBL8599977 0.73 LTA4H (0.53) LTA4HNR5A1ESR1CYP2D6LMNA
SCHEMBL8542624 0.73 RAB9A (0.37) SMN1; SMN2RARBNPSR1
Hydroquinone SCHEMBL10844675 0.72 LTA4H (0.52) LTA4HNR5A1ESR1CYP2D6LMNA
SCHEMBL7561627 0.71 LTA4H (0.45) LTA4HNR5A1ESR1CYP2D6LMNA

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