SCHEMBL4408964

SCHEMBL4408964

CCCCCCc1nnn(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
MIF P14174 1/20 0.32
DDX3X O00571 1/20 0.32
ALDH1A1 P00352 1/20 0.32
XDH P47989 1/20 0.32
CYP19A1 P11511 3/20 0.31
FAAH O00519 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL4409256 0.98 GABRA2 (0.34) GABRA2GABRB2MIFDDX3XGPR84
SCHEMBL4406930 0.93 GABRA2 (0.33) GABRA2GABRB2
SCHEMBL4411186 0.87 GABRA2 (0.34) GABRA2GABRB2DDX3XCYP19A1GPR84
SCHEMBL4404994 0.85 GABRB3 (0.32)
SCHEMBL4411049 0.85 GPR84 (0.33) GABRA2GABRB2MIFDDX3XCYP19A1
SCHEMBL4407156 0.84 MIF (0.33) MIFALDH1A1XDHCYP19A1GPR84
SCHEMBL4407891 0.83 ALDH1A1 (0.35) GABRA2GABRB2MIFALDH1A1XDH
SCHEMBL4405497 0.82 MIF (0.33) MIFALDH1A1XDHGPR84
SCHEMBL4410762 0.81 MIF (0.33) GABRA2GABRB2MIFALDH1A1CYP19A1
SCHEMBL4403753 0.80 GGPS1 (0.33) GABRA2GABRB2MIFALDH1A1XDH

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