SCHEMBL4403592

SCHEMBL4403592

CC(C)(C)n1nnnc1C(Cl)(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
CACNA1B Q00975 2/20 0.35
APBA1 Q02410 2/20 0.35
HSP90AA1 P07900 1/20 0.35
CCR6 P51684 1/20 0.33

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
SCHEMBL4411129 0.83 ALDH1A1 (0.35) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4409255 0.81 ALDH1A1 (0.35) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4412005 0.81 ALDH1A1 (0.39) ALDH1A1MAPTHTT
SCHEMBL4404373 0.77 ALDH1A1 (0.33) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4404317 0.77 ALDH1A1 (0.33) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4414658 0.77 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4407925 0.74 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4405470 0.74 ALDH1A1 (0.35) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL22472670 0.74 ALDH1A1 (0.42) ALDH1A1
SCHEMBL4410972 0.73 ALDH1A1 (0.35) ALDH1A1MAPTHPGDHTTCACNA1B

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