SCHEMBL6453040

SCHEMBL6453040

C[Zr](=O)([SiH3])(Cl)(Cl)(CCO)C1c2ccccc2-c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
SLC22A2 O15244 1/20 0.32
SLC22A3 O75751 1/20 0.32
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
GPR3 P46089 1/20 0.31
HTR2A P28223 1/20 0.31
TDO2 P48775 1/20 0.31
CYP1A2 P05177 1/20 0.30
TSHR P16473 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
SCHEMBL6447626 0.91 POLB (0.32) POLBSLC22A2SLC22A3
SCHEMBL6451934 0.77 PTPN1 (0.38) POLB
SCHEMBL6448584 0.74 RET (0.31)
SCHEMBL7627814 0.71 ACHE (0.44) SLC22A2SLC22A3KMT2AGPR3HTR2A
SCHEMBL5614352 0.71 ACHE (0.41)
SCHEMBL6464764 0.70 SCN1A (0.31)
SCHEMBL6443168 0.66
SCHEMBL6463707 0.65 ACHE (0.31)
SCHEMBL25334017 0.59 GPR3 (0.33) SLC22A2SLC22A3GPR3
SCHEMBL22607496 0.59 GPR3 (0.33) SLC22A2SLC22A3GPR3

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