SCHEMBL4407091

SCHEMBL4407091

Cn1nnnc1C(Cl)(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
CACNA1B Q00975 2/20 0.37
APBA1 Q02410 2/20 0.37
HSP90AA1 P07900 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CCR6 P51684 1/20 0.35
POLB P06746 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
SCHEMBL4407269 0.81 ALDH1A1 (0.35) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL11928362 0.73 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL14037128 0.73 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL11928363 0.73 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL4407958 0.72 ALDH1A1 (0.36) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4407118 0.72 ALDH1A1 (0.45) ALDH1A1HPGDPOLB
SCHEMBL11928138 0.71 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL4403592 0.71 ALDH1A1 (0.37) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4409255 0.70 ALDH1A1 (0.35) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4414878 0.70 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