SCHEMBL8004773

SCHEMBL8004773

C=CCOCC(COC(c1ccccc1)(c1ccccc1)c1cccc(OC)c1OC)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 15/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL8004766 0.91 PGR (0.32) BCHE
SCHEMBL10805897 0.84 ALOX15 (0.34)
SCHEMBL8004769 0.83 AOC3 (0.37) NPC1RAB9A
SCHEMBL8007614 0.83 SMN1; SMN2 (0.34) NPC1RAB9AHTR1AADRA1A
SCHEMBL10802176 0.75 CA1 (0.39)
SCHEMBL8979338 0.74 MEN1 (0.38)
SCHEMBL8007607 0.73 LMNA (0.36) NPC1RAB9AHTR1AADRA1A
SCHEMBL15892826 0.71 KIF11 (0.43)
SCHEMBL28799825 0.71 ALDH1A1 (0.38) NPC1RAB9AABCB1ABCG2
Lithium SCHEMBL29714938 0.70 ALDH1A1 (0.38) NPC1RAB9AABCB1ABCG2

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
US-6136790-A MULTIETHER COMPOUNDS AS ANTITICKING AGENTS GLYCOREX AB (SE) 2000-10-24 US disclosed