SCHEMBL5411261

SCHEMBL5411261

CC(C)c1cc[n+](Cc2ccccc2)cc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.49
▸ CHKA P35790 9/20 0.47
▸ LMNA P02545 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ BCHE P06276 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5284579 0.80 CHRNA7 (0.46) ACHEBCHE
SCHEMBL5331811 0.76 CHKA (0.56) ACHECHKALMNAALDH1A1HTT
SCHEMBL5331885 0.75 LMNA (0.56) ACHECHKALMNAALDH1A1HTT
SCHEMBL5284096 0.75 MAOA (0.33) HTT
Bromide SCHEMBL463578 0.74 CHKA (0.43) ACHECHKALMNAALDH1A1HTT
Bromide SCHEMBL463579 0.74 CHKA (0.43) ACHECHKALMNAALDH1A1HTT
Bromide SCHEMBL15140537 0.74 CHKA (0.58) ACHECHKALMNAALDH1A1HTT
Iodide SCHEMBL7437383 0.74 CHKA (0.55) ACHECHKALMNAALDH1A1HTT
Hydrochloric Acid SCHEMBL7441129 0.74 ALDH1A1 (0.56) CHKALMNAALDH1A1HTTSMN1; SMN2
SCHEMBL1127774 0.73 ACHE (0.85) ACHEBCHE

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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