SCHEMBL16359172

SCHEMBL16359172

CC(C)SC(C)(C)C(=O)Nc1cccc(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 7/20 0.44
▸ GSK3B P49841 7/20 0.44
▸ SRPK1 Q96SB4 5/20 0.44
▸ AURKA O14965 1/20 0.44
▸ PRKX P51817 1/20 0.44
▸ PRKG1 Q13976 1/20 0.44
▸ MAPKAPK5 Q8IW41 1/20 0.44
▸ RORC P51449 1/20 0.44
▸ TAS2R14 Q9NYV8 1/20 0.43
▸ GRM5 P41594 2/20 0.42
▸ CLK4 Q9HAZ1 11/20 0.42
▸ ACVR1 Q04771 10/20 0.42
▸ HIPK4 Q8NE63 5/20 0.42
▸ STK3 Q13188 5/20 0.42
▸ AURKB Q96GD4 5/20 0.42
▸ CDK8 P49336 5/20 0.42
▸ CDK2 P24941 4/20 0.42
▸ PIM3 Q86V86 4/20 0.42
▸ FLT3 P36888 3/20 0.42
▸ CSNK2A1 P68400 3/20 0.42

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
SCHEMBL1464316 0.80 GSK3A (0.49) GSK3AGSK3BSRPK1AURKAPRKX
SCHEMBL14960342 0.79 GSK3A (0.48) GSK3AGSK3BSRPK1AURKAPRKX
SCHEMBL1621558 0.78 RORC (0.53) GSK3AGSK3BSRPK1AURKAPRKX
SCHEMBL9891927 0.77 GSK3A (0.52) GSK3AGSK3BSRPK1AURKAPRKX
SCHEMBL14302168 0.76 ACVR1 (0.49) GSK3AGSK3BSRPK1AURKAPRKX
SCHEMBL14300151 0.76 RORC (0.46) GSK3AGSK3BSRPK1AURKAPRKX
SCHEMBL13170010 0.75 KDM4E (0.56) GSK3AGSK3BSRPK1AURKAPRKX
SCHEMBL1621429 0.75 RORC (0.48) GSK3AGSK3BSRPK1AURKAPRKX
SCHEMBL14300149 0.75 CLK4 (0.50) GSK3AGSK3BSRPK1AURKAPRKX
SCHEMBL1621426 0.75 RORC (0.49) GSK3AGSK3BSRPK1AURKAPRKX

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 — — WO disclosed
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