SCHEMBL6966979

SCHEMBL6966979

CCCCOC(C)OC(F)(F)C(F)(F)Oc1ccc(-c2ncc(O)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
RARB P10826 6/20 0.34
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP19A1 P11511 1/20 0.33
CYP3A4 P08684 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
SCHEMBL8540324 0.97 RAB9A (0.40) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8544776 0.92 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7557759 0.86 LTA4H (0.40) SMN1; SMN2NPSR1HDAC3HDAC1HDAC2
SCHEMBL8540414 0.85 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7561656 0.84 LTA4H (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7557758 0.83 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8542624 0.82 RAB9A (0.37) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8546600 0.81 NPSR1 (0.37) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8545562 0.79 NPSR1 (0.37) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9122262 0.77 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821719-B1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING & MFG (US) 2003-01-02 EP disclosed
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
US-5972241-A ELECTROOPTICAL APPLICATIONS, IN PARTICULAR THOSE WHICH REQUIRE COMPACT, ENERGY-EFFICIENT, VOLTAGE-CONTROLLED LIGHT VALVES, E.G., WATCHES AND COMPUTERS 3M INNOVATIVE PROPERTIES COMPANY (US) 1999-10-26 US disclosed
EP-0736078-B1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING & MFG (US) 1998-06-24 EP disclosed
US-5702637-A DISPLAY DEVICES WITH FAST RESPONSE TIMES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-12-30 US disclosed
EP-0792255-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-09-03 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
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-5474705-A Electrooptical displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-12-12 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
WO-1995017481-A1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-06-29 WO disclosed
EP-0638112-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-15 EP disclosed
WO-1993022396-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-11-11 WO disclosed