SCHEMBL4409173

SCHEMBL4409173

CCCCc1nnn(C(C)(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIRT1 Q96EB6 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
SCHEMBL4405497 0.94 MIF (0.33) TSHRMAPK1L3MBTL1
SCHEMBL4407156 0.93 MIF (0.33) TSHRMAPK1L3MBTL1
SCHEMBL4407202 0.88 AOC3 (0.31)
SCHEMBL4405651 0.83 GABRA2 (0.30)
SCHEMBL4406930 0.83 GABRA2 (0.33)
SCHEMBL4408208 0.80 GGPS1 (0.31)
SCHEMBL4404895 0.80 GABRA2 (0.31)
SCHEMBL4407235 0.79 AOC3 (0.35) TSHRMAPK1L3MBTL1
SCHEMBL4409256 0.78 GABRA2 (0.34)
SCHEMBL4410762 0.78 MIF (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