SCHEMBL5295342

SCHEMBL5295342

CCCCc1cc[n+](CCCc2ccccc2)cc1CCCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.45
▸ CHRNA7 P36544 3/20 0.45
▸ CHRNA10 Q9GZZ6 3/20 0.45
▸ CHRNA9 Q9UGM1 3/20 0.45
▸ APAF1 O14727 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD11B1 P28845 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ HTR1A P08908 1/20 0.40

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
SCHEMBL5304682 0.95 HTT (0.48) HTTCHRNA7CHRNA10CHRNA9APAF1
SCHEMBL5296875 0.94 HTT (0.50) HTTCHRNA7CHRNA10CHRNA9APAF1
SCHEMBL5300559 0.94 HTT (0.50) HTTCHRNA7CHRNA10CHRNA9APAF1
SCHEMBL5302435 0.94 HTT (0.50) HTTCHRNA7CHRNA10CHRNA9APAF1
SCHEMBL5304263 0.94 HTT (0.50) HTTCHRNA7CHRNA10CHRNA9APAF1
SCHEMBL5814695 0.94 HTT (0.50) HTTCHRNA7CHRNA10CHRNA9APAF1
SCHEMBL5295771 0.94 HTT (0.50) HTTCHRNA7CHRNA10CHRNA9APAF1
SCHEMBL5306449 0.94 HTT (0.50) HTTCHRNA7CHRNA10CHRNA9APAF1
SCHEMBL5296236 0.94 HTT (0.50) HTTCHRNA7CHRNA10CHRNA9APAF1
SCHEMBL5295596 0.94 HTT (0.50) HTTCHRNA7CHRNA10CHRNA9APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 — — WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 — — WO disclosed
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