SCHEMBL5305181

SCHEMBL5305181

CCC[n+]1ccc(C)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 4/20 0.56
▸ CHRNA10 Q9GZZ6 4/20 0.56
▸ CHRNA9 Q9UGM1 4/20 0.56
▸ HTT P42858 3/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL29482229 0.87 CHRNA7 (0.62) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL562670 0.87 CHRNA7 (0.62) CHRNA7CHRNA10CHRNA9HTTMEN1
Hydrochloric Acid SCHEMBL1533941 0.85 CHRNA7 (0.61) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL5294019 0.85 HTT (0.62) CHRNA7CHRNA10CHRNA9HTTMEN1
Water SCHEMBL15375319 0.85 CHRNA7 (0.61) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL5303507 0.84 HTT (0.66) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL5297155 0.84 HTT (0.66) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL5296041 0.84 HTT (0.66) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL5283392 0.84 HTT (0.66) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL5301421 0.84 HTT (0.66) CHRNA7CHRNA10CHRNA9HTTMEN1

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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