SCHEMBL4403680

SCHEMBL4403680

CCCCCCc1nnn(C(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.34
MIF P14174 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4409333 0.98 MIF (0.33) CYP19A1MIF
SCHEMBL4407194 0.93 DAGLA (0.31)
SCHEMBL4405874 0.85
SCHEMBL1897433 0.84 MIF (0.35) MIF
SCHEMBL7507404 0.81 NPSR1 (0.38)
SCHEMBL1899853 0.80 NPSR1 (0.39)
SCHEMBL7501875 0.79 DAGLA (0.38)
SCHEMBL4408985 0.78 GPR84 (0.37)
SCHEMBL4407677 0.77 FAAH (0.43) CYP19A1MIFALDH1A1
SCHEMBL4413086 0.77 NPC1 (0.33)

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