SCHEMBL4408382

SCHEMBL4408382

CCCCc1nnnn1C(Cl)(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TLR7 Q9NYK1 4/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL4403707 0.95 ALDH1A1 (0.35) ALDH1A1TLR7GABRA2GABRB2
SCHEMBL4405949 0.93 ALDH1A1 (0.35) ALDH1A1TLR7GABRA2GABRB2
SCHEMBL4407139 0.89 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4407877 0.86 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4405392 0.83 ALDH1A1 (0.51) ALDH1A1
SCHEMBL4412051 0.81 ALDH1A1 (0.38) ALDH1A1GABRA2GABRB2
SCHEMBL4405290 0.81 ALDH1A1 (0.33) ALDH1A1GABRA2GABRB2
SCHEMBL4403688 0.80 ALDH1A1 (0.40) ALDH1A1
SCHEMBL4405531 0.80 CYP19A1 (0.33) ALDH1A1GABRA2GABRB2
SCHEMBL4415100 0.79 ALDH1A1 (0.36) ALDH1A1GABRA2GABRB2

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