SCHEMBL5282778

SCHEMBL5282778

c1ccc(CCC[n+]2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.54
ACHE P22303 8/20 0.54

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
SCHEMBL8758357 1.00 BCHE (0.54) BCHEACHE
SCHEMBL25567518 0.92 CHRNA7 (0.50) BCHEACHE
SCHEMBL14802084 0.91 BCHE (0.62) BCHEACHE
Bromide SCHEMBL9673297 0.91 BCHE (0.58) BCHEACHE
Bromide SCHEMBL10456975 0.90 BCHE (0.64) BCHEACHE
SCHEMBL4230954 0.89 CHRNA7 (0.55) ACHE
SCHEMBL4402115 0.87 BCHE (0.50) BCHEACHE
SCHEMBL10445050 0.86 CYP2D6 (0.50) BCHEACHE
SCHEMBL5302183 0.85 TP53 (0.56) ACHE
SCHEMBL5292316 0.85 KDM4E (0.53) ACHE

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