SCHEMBL4409333

SCHEMBL4409333

CCCCCc1nnn(C(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
CYP19A1 P11511 3/20 0.32
DAGLA Q9Y4D2 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
SCHEMBL4403680 0.98 CYP19A1 (0.34) MIFCYP19A1
SCHEMBL4407194 0.94 DAGLA (0.31) DAGLA
SCHEMBL4405874 0.86
SCHEMBL1897433 0.86 MIF (0.35) MIFGPR84DAGLA
SCHEMBL1899853 0.82 NPSR1 (0.39) DAGLA
SCHEMBL7507404 0.79 NPSR1 (0.38) DAGLA
SCHEMBL4413086 0.78 NPC1 (0.33)
SCHEMBL1303314 0.77
SCHEMBL4411011 0.77 GPR84 (0.38) MIFGPR84
SCHEMBL1303315 0.77 NPC1 (0.31) DAGLA

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