SCHEMBL4407167

SCHEMBL4407167

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

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4403762 0.85 ALDH1A1 (0.38) ALDH1A1LMNANPSR1
SCHEMBL4407121 0.81 ALDH1A1 (0.38) ALDH1A1LMNANPSR1
SCHEMBL4407852 0.80 ALDH1A1 (0.51) ALDH1A1LMNANPSR1
SCHEMBL4406600 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4400131 0.77 ALDH1A1 (0.38) ALDH1A1LMNANPSR1
SCHEMBL4407839 0.76 ALDH1A1 (0.32) ALDH1A1LMNANPSR1
SCHEMBL4415100 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4407735 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4413082 0.74 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL4408216 0.73 GABRA2 (0.34) ALDH1A1LMNA

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