SCHEMBL6447716

SCHEMBL6447716

C[Si](C)=[Zr](Cl)(Cl)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2cccc(OCCO)c21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR7 P34969 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KEAP1 Q14145 3/20 0.34
ADRB2 P07550 3/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 2/20 0.34
NFE2L2 Q16236 1/20 0.34
PKM P14618 1/20 0.33
AR P10275 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL6444019 0.86 MEN1 (0.31) MEN1KMT2AHTR7LMNAPOLB
SCHEMBL6447932 0.81 MEN1 (0.36) MEN1KMT2AHTR7LMNAPOLB
SCHEMBL6066611 0.81
SCHEMBL6473106 0.79
SCHEMBL6445095 0.74 MEN1 (0.31) MEN1KMT2AHTR7LMNAPOLB
SCHEMBL6451039 0.73 MEN1 (0.39) MEN1KMT2AHTR7LMNAPOLB
SCHEMBL6447588 0.71 ALDH1A1 (0.41) MEN1KMT2AHTR7LMNAPOLB
SCHEMBL28980776 0.69 ADRB2 (0.44) MEN1KMT2AHTR7LMNAPOLB
SCHEMBL28896928 0.68 TP53 (0.50) MEN1KMT2AHTR7LMNAPOLB
SCHEMBL7195312 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065018-A1 Preparation and use of heterogeneous catalyst components for olefins polymerization (1) REPSOL QUIMICA S.A. 2005-03-24 US disclosed
EP-0953580-B1 Preparation and use of heterogeneous catalyst components for olefins polymerization REPSOL QUIMICA SA (ES) 2004-04-14 EP disclosed
US-20030144135-A1 PREPARATION AND USE OF HETEROGENEOUS CATALYST COMPONENTS FOR OLEFINS POLYMERIZATION REPSOL QUIMICA S.A. (ES) 2003-07-31 US disclosed
EP-0955306-B1 Functionalized metallocene compounds, synthesis process and use thereof REPSOL QUIMICA SA (ES) 2003-01-22 EP disclosed
US-6114555-A Functionalized metallocene compounds, synthesis process and use thereof REPSOL QUIMICA S.A. (ES) 2000-09-05 US disclosed
EP-0955306-A1 Functionalized metallocene compounds, synthesis process and use thereof REPSOL QUIMICA S.A. (ES) 1999-11-10 EP disclosed
EP-0953580-A1 Preparation and use of heterogeneous catalyst components for olefins polymerization REPSOL QUIMICA S.A. (ES) 1999-11-03 EP disclosed