SCHEMBL9166117

SCHEMBL9166117

CCCCCCc1cnc(-c2ccc(OCCCC(O)(F)F)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.55
RAB9A P51151 8/20 0.51
NPC1 O15118 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
USP2 O75604 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44

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
SCHEMBL9167714 1.00 RARB (0.55) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL7793288 0.90 RARB (0.54) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL7790113 0.89 RARB (0.53) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL7790162 0.89 RAB9A (0.55) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL14295767 0.87 RARB (0.65) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9268500 0.87 RARB (0.65) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL6948263 0.87 RARB (0.65) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL7910730 0.86 RARB (0.63) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL13029249 0.86 RARB (0.63) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL8961773 0.86 RARB (0.63) RARBRAB9ANPC1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540648-B1 FERROELECTRIC LIQUID CRYSTAL COMPOSITIONS CONTAINING CHIRAL HALOALKOXY TAIL UNITS DISPLAYTECH INC (US) 1995-05-10 EP disclosed