SCHEMBL4403762

SCHEMBL4403762

CC(C)(C)Cc1nnnn1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
FAAH O00519 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4407167 0.85 ALDH1A1 (0.36) ALDH1A1LMNANPSR1
SCHEMBL4407852 0.83 ALDH1A1 (0.51) ALDH1A1HDAC1HDAC6FAAHLMNA
SCHEMBL4400131 0.80 ALDH1A1 (0.38) ALDH1A1FAAHLMNANPSR1
SCHEMBL4408149 0.79 ALDH1A1 (0.40) ALDH1A1HDAC1HDAC6
SCHEMBL4412052 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4403787 0.75 ALDH1A1 (0.33) ALDH1A1FAAH
SCHEMBL4408385 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4412051 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4408150 0.72 ALDH1A1 (0.39) ALDH1A1FAAHLMNA
SCHEMBL4406689 0.71 ALDH1A1 (0.44) ALDH1A1FAAHLMNA

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