SCHEMBL4408301

SCHEMBL4408301

CC(C)Cc1nnnn1Br

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4411241 0.76 ALDH1A1 (0.39) CNR2ALDH1A1CYP1A2TDP1
SCHEMBL4408126 0.75
SCHEMBL4409241 0.74 CNR2 (0.32) CNR2ALDH1A1CYP1A2TDP1
SCHEMBL4407893 0.74 CNR2 (0.32) CNR2ALDH1A1CYP1A2TDP1
SCHEMBL4413524 0.74 ALDH1A1 (0.50) CNR2ALDH1A1CYP1A2TDP1
SCHEMBL25006629 0.74 CYP1A2 (0.35) CNR2ALDH1A1CYP1A2TDP1
SCHEMBL4405716 0.72 ALDH1A1 (0.42) CNR2ALDH1A1CYP1A2TDP1
SCHEMBL4406055 0.72 CNR2 (0.51) CNR2ALDH1A1CYP1A2TDP1
SCHEMBL4405753 0.71 ALDH1A1 (0.49) ALDH1A1
SCHEMBL4404333 0.70 ALDH1A1 (0.33) ALDH1A1

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
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed