SCHEMBL4407871

SCHEMBL4407871

CC(C)c1nnnn1C(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NLRP1 Q9C000 1/20 0.31
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4411941 0.83 ALDH1A1 (0.34) ALDH1A1TSHRRAB9APOLB
SCHEMBL4403701 0.80 ALDH1A1 (0.51) ALDH1A1TSHRPOLBLMNAHTT
SCHEMBL4416352 0.75 ALDH1A1 (0.34) ALDH1A1TSHRRAB9APOLB
SCHEMBL4405477 0.70 ALDH1A1 (0.33) ALDH1A1RAB9AHTTHSP90AA1MAPT
SCHEMBL4408120 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4416160 0.67
SCHEMBL4410972 0.67 ALDH1A1 (0.35) ALDH1A1HTTHSP90AA1MAPTHPGD
SCHEMBL4409255 0.65 ALDH1A1 (0.35) ALDH1A1HTTHSP90AA1MAPTHPGD
SCHEMBL4405708 0.65
SCHEMBL4410900 0.65

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