SCHEMBL7034694

SCHEMBL7034694

CCCCCCc1ccc(-c2cccc3c2C=C(C)C3[Si](C)(C)C2C(C)=Cc3c(-c4ccc(CCCCCC)cc4)cccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.40
RARB P10826 6/20 0.39
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TOP2A P11388 1/20 0.37
TSHR P16473 1/20 0.37
RARA P10276 1/20 0.36
MTOR P42345 1/20 0.36
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36

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
SCHEMBL7038794 0.95 HSD11B1 (0.40) HSD11B1RARBALDH1A1MAPTRAB9A
SCHEMBL7039008 0.90 S1PR1 (0.32) HSD11B1ALDH1A1MEN1MAPTKMT2A
SCHEMBL7039771 0.87 HSD11B1 (0.37) HSD11B1RARBHSD17B10ALDH1A1MEN1
SCHEMBL7201117 0.87 HSD11B1 (0.40) HSD11B1RARBHSD17B10ALDH1A1MEN1
SCHEMBL7031849 0.87 HSD11B1 (0.37) HSD11B1RARBHSD17B10ALDH1A1MEN1
SCHEMBL7198194 0.86 HSD11B1 (0.40) HSD11B1RARBHSD17B10ALDH1A1MEN1
SCHEMBL7037406 0.85 HSD11B1 (0.36) HSD11B1RARBHSD17B10ALDH1A1MEN1
SCHEMBL7037129 0.85 EDNRB (0.35) ALDH1A1MAPTKDM4EGAARAB9A
1-Hexanol SCHEMBL16353476 0.83 SOAT1 (0.36)
SCHEMBL7031378 0.83 HSD11B1 (0.37) HSD11B1RARBHSD17B10ALDH1A1MEN1

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