SCHEMBL6549101

SCHEMBL6549101

ON=C(c1ccc(OCCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
GAA P10253 3/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PDK2 Q15119 2/20 0.32
RHOC P08134 1/20 0.32
RHOA P61586 1/20 0.32
FFAR1 O14842 1/20 0.31
CYP2C9 P11712 1/20 0.31
SCN5A Q14524 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL6548184 0.99 GAA (0.34) HTTGAAALOX15HSD17B10ALDH1A1
SCHEMBL6547219 0.98 HTT (0.34) HTTGAAALOX15HSD17B10ALDH1A1
SCHEMBL6547985 0.86 HTT (0.34) HTTRHOCRHOAFFAR1FFAR4
SCHEMBL8025900 0.85 HTT (0.40) HTTGAARHOCRHOAFFAR1
SCHEMBL8022290 0.84 HTT (0.39) HTTGAATP53RHOCRHOA
SCHEMBL6548880 0.84 HTT (0.41) HTTGAAALOX15HSD17B10RAB9A
SCHEMBL3185519 0.83 HTT (0.37) HTTGAAALOX15HSD17B10RAB9A
SCHEMBL3185522 0.83 HTT (0.37) HTTGAAALOX15HSD17B10RAB9A
SCHEMBL6547457 0.83 HTT (0.40) HTTGAAALOX15HSD17B10RAB9A
SCHEMBL8011673 0.83 HTT (0.40) HTTRHOCRHOAFFAR1CYP2C9

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-0975586-B1 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP claimed