SCHEMBL4416627

SCHEMBL4416627

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
CACNA1B Q00975 2/20 0.33
APBA1 Q02410 2/20 0.33
HSP90AA1 P07900 1/20 0.33
CCR6 P51684 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
SCHEMBL4404572 0.83 CYP1A2 (0.42) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL4410852 0.77 CYP1A2 (0.39) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL4411130 0.75 CYP1A2 (0.38) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL14417046 0.73 POLB (0.37) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL25009055 0.73 CYP1A2 (0.37) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL4407269 0.72 ALDH1A1 (0.35) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4404213 0.72 CYP1A2 (0.36) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL4403775 0.72 CNR2 (0.37) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4408448 0.70 ALDH1A1 (0.34) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4411129 0.69 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