SCHEMBL7107099

SCHEMBL7107099

CCCCCCCOc1cnc(-c2ccc(CCCCCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
RARB P10826 1/20 0.39
NPC1 O15118 3/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
PLA2G10 O15496 1/20 0.35

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
SCHEMBL7067326 0.94 RAB9A (0.46) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7067485 0.94 RAB9A (0.48) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7063007 0.94 RAB9A (0.48) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7064645 0.94 RAB9A (0.48) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7066269 0.94 RAB9A (0.48) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7159709 0.93 RAB9A (0.49) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7091841 0.92 RARB (0.44) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL8428488 0.92 RAB9A (0.40) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7092252 0.92 RARB (0.44) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7089186 0.92 RARB (0.44) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10

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-1042302-B1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING & MFG (US) 2003-09-24 EP disclosed
US-6309561-B1 Liquid crystal compounds having a chiral fluorinated terminal portion 3M INNOVATIVE PROPERTIES COMPANY 2001-10-30 US disclosed
EP-1042302-A1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-10-11 EP disclosed
WO-1999033814-A1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-08 WO disclosed