SCHEMBL5284096

SCHEMBL5284096

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ HTT P42858 1/20 0.31
▸ GABRA1 P14867 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30

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
SCHEMBL5288861 0.83 HTT (0.40) MAOAMAOBGRIN1GRIN2AGRIN2B
SCHEMBL5299585 0.80 HTT (0.49) HTT
SCHEMBL5299405 0.79 HTT (0.56) HTT
SCHEMBL5301491 0.77 HTT (0.58) HTT
SCHEMBL5813002 0.77 HTT (0.58) HTT
SCHEMBL5296787 0.77 HTT (0.58) HTT
SCHEMBL5292740 0.77 HTT (0.58) HTT
SCHEMBL5302043 0.77 HTT (0.58) HTT
SCHEMBL5289294 0.77 HTT (0.58) HTT
SCHEMBL5304818 0.77 HTT (0.58) HTT

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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