SCHEMBL4408965

SCHEMBL4408965

CC(C)(C)Cn1nnnc1C(Cl)(Cl)C(Cl)(Cl)Cl

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 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
SCHEMBL4403609 0.85 ALDH1A1 (0.33) ALDH1A1HSP90AA1MAPTHPGDHTT
SCHEMBL4408134 0.81 ALDH1A1 (0.41) ALDH1A1HSP90AA1MAPTHPGDHTT
SCHEMBL4407082 0.80 LMNA (0.33) ALDH1A1
SCHEMBL4408846 0.78 CYP1A2 (0.42) ALDH1A1HPGD
SCHEMBL4415158 0.77 LMNA (0.31)
SCHEMBL4403775 0.76 CNR2 (0.37) ALDH1A1HSP90AA1MAPTHPGDHTT
SCHEMBL4409305 0.76 LMNA (0.31)
SCHEMBL4411090 0.75 KMT2A (0.38) ALDH1A1MAPTHTT
SCHEMBL4408012 0.74 SLC9A1 (0.37) ALDH1A1HTT
SCHEMBL4404385 0.73 SLC9A1 (0.39) ALDH1A1HTT

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