SCHEMBL6974977

SCHEMBL6974977

CCCCCCOc1cnc(-c2ccc(OC[C@H](F)COCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.36
PLA2G2A P14555 6/20 0.33
RARB P10826 3/20 0.33
LMNA P02545 2/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G5 P39877 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
PLA2G4B P0C869 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6966512 1.00 NPC1 (0.39) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL6974983 1.00 NPC1 (0.39) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8387772 1.00 NPC1 (0.39) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL6966514 1.00 NPC1 (0.39) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8387769 1.00 NPC1 (0.39) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7868131 0.96 NPC1 (0.38) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7868129 0.96 NPC1 (0.38) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL6964675 0.94 NPC1 (0.34) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL6979343 0.94 NPC1 (0.34) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL6978943 0.94 NPC1 (0.34) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10

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 5 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
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-0821719-A1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-02-04 EP disclosed
US-5702637-A DISPLAY DEVICES WITH FAST RESPONSE TIMES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-12-30 US disclosed
WO-1996033251-A1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-10-24 WO disclosed