SCHEMBL7034874

SCHEMBL7034874

CCCCc1ccc(-c2cccc3c2C=C(CC)C3[Si](C)(C)C2C(CC)=Cc3c(-c4ccc(CCCC)cc4)cccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.39
BRS3 P32247 2/20 0.34
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
RARB P10826 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
NFKB1 P19838 1/20 0.33
S1PR1 P21453 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PSMB5 P28074 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
TOP2A P11388 1/20 0.33
TLR8 Q9NR97 1/20 0.32
UCHL3 P15374 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
SCHEMBL7198194 0.96 HSD11B1 (0.40) HSD11B1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7201117 0.95 HSD11B1 (0.40) HSD11B1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7031378 0.94 HSD11B1 (0.37) HSD11B1BRS3RAB9ASMN1; SMN2NPC1
SCHEMBL7037707 0.93 HSD11B1 (0.36) HSD11B1BRS3RAB9ASMN1; SMN2NPC1
SCHEMBL7036446 0.93 S1PR1 (0.32) HSD11B1RAB9ANPC1MAPTNISCH
SCHEMBL7031849 0.91 HSD11B1 (0.37) HSD11B1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7037024 0.90 HSD11B1 (0.34) HSD11B1BRS3RAB9ASMN1; SMN2NPC1
SCHEMBL7033012 0.90 EDNRB (0.32) HSD11B1BRS3PSMB5TLR8
SCHEMBL7038530 0.89 EDNRB (0.35)
SCHEMBL7031629 0.89 BRS3 (0.36) HSD11B1BRS3RAB9ASMN1; SMN2NPC1

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