SCHEMBL28804643

SCHEMBL28804643

CC(C[C]1C=Cc2cc3c(cc21)CCC3)c1ccccc1.[Hf]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
NISCH Q9Y2I1 3/20 0.34
TAAR1 Q96RJ0 3/20 0.33
RIPK1 Q13546 1/20 0.33
TRPA1 O75762 3/20 0.32
AOC3 Q16853 2/20 0.31
NR3C2 P08235 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
SCHEMBL23273332 0.99 MAOA (0.35) MAOAMAOBNISCHTAAR1RIPK1
SCHEMBL22982019 0.96 MAOA (0.35) MAOAMAOBNISCHTAAR1RIPK1
SCHEMBL28804688 0.84 MAOA (0.33) MAOAMAOBNISCHTAAR1RIPK1
SCHEMBL23273299 0.83 MAOA (0.33) MAOAMAOBNISCHTAAR1RIPK1
SCHEMBL28804543 0.82 RIPK1 (0.33) MAOAMAOBNISCHTAAR1RIPK1
SCHEMBL28718943 0.81 CDC25B (0.32)
SCHEMBL22983230 0.81 RIPK1 (0.34) MAOAMAOBNISCHTAAR1RIPK1
SCHEMBL21244334 0.79 CDC25B (0.33)
SCHEMBL22982589 0.79 RIPK1 (0.41) MAOAMAOBNISCHTAAR1RIPK1
SCHEMBL21244340 0.78 CDC25B (0.32)

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
CN-114845980-A Dimer-selective metallocene catalyst, non-aromatic hydrocarbon soluble activator and method for preparing poly alpha-olefin oligomer using the same 埃克森美孚化学专利公司 2022-08-02 CN claimed
CN-114845980-A Dimer-selective metallocene catalyst, non-aromatic hydrocarbon soluble activator and method for preparing poly alpha-olefin oligomer using the same 埃克森美孚化学专利公司 2022-08-02 CN disclosed