SCHEMBL7557758

SCHEMBL7557758

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 7/20 0.37
CYP2C19 P33261 7/20 0.37
CYP19A1 P11511 6/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37
LTA4H P09960 2/20 0.37
NR5A1 Q13285 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2D6 P10635 7/20 0.36
CYP3A4 P08684 3/20 0.36
HDAC3 O15379 1/20 0.36

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
SCHEMBL8546493 0.88 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9122262 0.88 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6966979 0.83 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8540324 0.81 RAB9A (0.40) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7560950 0.78 RARB (0.48) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7560706 0.78 RARB (0.48) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7557739 0.77 RARB (0.50) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7565310 0.77 RARB (0.50) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7560063 0.77 RARB (0.50) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7559962 0.77 RARB (0.50) 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 7 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
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
WO-1993022396-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-11-11 WO disclosed