SCHEMBL5812742

SCHEMBL5812742

CCCCCCCCCCCCCCCc1cc[n+](CCCc2ccccc2)cc1CCCCCCCCCCCCCCC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.50
▸ APAF1 O14727 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CHRM2 P08172 2/20 0.45
▸ ADRA2A P08913 2/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45
▸ CHRM1 P11229 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ SLC6A2 P23975 2/20 0.45
▸ SLC6A4 P31645 2/20 0.45
▸ SLC6A3 Q01959 2/20 0.45
▸ ABCB11 O95342 1/20 0.45

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
SCHEMBL5292652 1.00 HTT (0.50) HTTAPAF1MAPTTHRBMAPK1
SCHEMBL5304263 1.00 HTT (0.50) HTTAPAF1MAPTTHRBMAPK1
SCHEMBL5300559 1.00 HTT (0.50) HTTAPAF1MAPTTHRBMAPK1
SCHEMBL5814695 1.00 HTT (0.50) HTTAPAF1MAPTTHRBMAPK1
SCHEMBL5296236 1.00 HTT (0.50) HTTAPAF1MAPTTHRBMAPK1
SCHEMBL5295771 1.00 HTT (0.50) HTTAPAF1MAPTTHRBMAPK1
SCHEMBL5302435 1.00 HTT (0.50) HTTAPAF1MAPTTHRBMAPK1
SCHEMBL5296875 1.00 HTT (0.50) HTTAPAF1MAPTTHRBMAPK1
SCHEMBL5306449 1.00 HTT (0.50) HTTAPAF1MAPTTHRBMAPK1
SCHEMBL5295596 1.00 HTT (0.50) HTTAPAF1MAPTTHRBMAPK1

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
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 — — WO disclosed
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