SCHEMBL7033012

SCHEMBL7033012

CCCCC1=Cc2c(-c3ccc(CC)cc3)cccc2C1[Si](C)(C)C1C(CCCC)=Cc2c(-c3ccc(CC)cc3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
TLR8 Q9NR97 1/20 0.32
HSD11B1 P28845 1/20 0.32
PSMB5 P28074 1/20 0.30
BRS3 P32247 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
SCHEMBL7031378 0.94 HSD11B1 (0.37) TLR8HSD11B1PSMB5BRS3
SCHEMBL7037024 0.93 HSD11B1 (0.34) TLR8HSD11B1PSMB5BRS3
SCHEMBL7036530 0.93 EDNRB (0.33) EDNRBEDNRA
SCHEMBL7031849 0.91 HSD11B1 (0.37) HSD11B1
SCHEMBL7037707 0.90 HSD11B1 (0.36) TLR8HSD11B1PSMB5BRS3
SCHEMBL7034874 0.90 HSD11B1 (0.39) TLR8HSD11B1PSMB5BRS3
SCHEMBL7031827 0.89 CRHR1 (0.32)
SCHEMBL29287776 0.89 PSMB5 (0.34) HSD11B1PSMB5
SCHEMBL7038530 0.89 EDNRB (0.35) EDNRBEDNRA
SCHEMBL7198194 0.87 HSD11B1 (0.40) TLR8HSD11B1

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
US-6620953-B1 Complexing dimethylbis(2-methyl-4,5-benzoindenyl)silane with transition metal compounds such as 2,4-di-tert-butylphenoxide, zirconium monochloride, to form polymerization catalysts BASSELL POLYOLEFINE GMBH (DE) 2003-09-16 US disclosed
EP-1133504-B1 METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2003-03-12 EP disclosed