SCHEMBL8845677

SCHEMBL8845677

CC1Cc2c(cccc2[Si](C)(C)c2cccc3c2CC(C)C3=O)C1=O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.62
CYP19A1 P11511 4/20 0.38
MAOA P21397 2/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2A1 P68400 1/20 0.32
METAP1 P53582 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL6936179 0.77 ACHE (1.00) ACHEMAOAMAOB
SCHEMBL30666460 0.77 ACHE (1.00) ACHEMAOAMAOB
SCHEMBL13115609 0.77 ACHE (0.68) ACHECYP19A1MAOAMAOB
SCHEMBL6472550 0.75 ACHE (0.66) ACHECYP19A1METAP1
SCHEMBL5953174 0.75 ACHE (0.67) ACHECYP19A1CSNK2A2CSNK2A1METAP1
SCHEMBL29980139 0.75 ACHE (0.66) ACHECYP19A1CSNK2A2CSNK2A1METAP1
SCHEMBL1453605 0.75 ACHE (0.66) ACHECYP19A1CSNK2A2CSNK2A1METAP1
SCHEMBL1453411 0.75 ACHE (0.66) ACHE
SCHEMBL2905609 0.75 ACHE (0.66) ACHECYP19A1CSNK2A2CSNK2A1
SCHEMBL13905614 0.75 ACHE (0.66) ACHECYP19A1CSNK2A2CSNK2A1METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693502-B1 Catalyst component for the polymerization of alpha-olefins and a process for preparing alpha-olefin polymers with use of same MITSUBISHI CHEM CORP (JP) 1997-11-05 EP disclosed
US-5594081-A METALLOCENES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-01-14 US disclosed
EP-0693502-A1 Catalyst component for the polymerization of alpha-olefins and a process for preparing alpha-olefin polymers with use of same MITSUBISHI CHEMICAL CORPORATION (JP) 1996-01-24 EP disclosed