SCHEMBL8544770

SCHEMBL8544770

Oc1ccc(-c2ncc(OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6966971 0.90 NPC1 (0.33) MEN1NPC1RAB9AKMT2A
SCHEMBL8540319 0.89 NPC1 (0.32) MEN1NPC1RAB9AKMT2A
SCHEMBL7557743 0.88 NPC1 (0.34) MEN1NPC1RAB9AKMT2A
SCHEMBL7557746 0.86 ESR2 (0.34)
SCHEMBL6973054 0.84 LTA4H (0.34)
SCHEMBL8544506 0.82 PREP (0.34)
SCHEMBL6970696 0.81 NPC1 (0.45) NPC1RAB9A
SCHEMBL8540407 0.81 NPC1 (0.33) NPC1RAB9A
SCHEMBL7091443 0.80 NPC1 (0.36) NPC1RAB9A
SCHEMBL6470938 0.80 NPC1 (0.36) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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