SCHEMBL20814739

SCHEMBL20814739

CC1=C(C)C([Zr](C2C(C)=C(c3ccc4ccccc4c3)c3ccccc32)=[Si](C)C)C(C)=C1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
AKT1 P31749 1/20 0.30
HSD11B1 P28845 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
SCHEMBL20814865 0.84
SCHEMBL20814724 0.80
Hydrochloric Acid SCHEMBL15814795 0.80
SCHEMBL20814743 0.79 CYP2E1 (0.32)
SCHEMBL20814792 0.79 GSTP1 (0.31) GSTP1
SCHEMBL20814860 0.78 NAT1 (0.30)
SCHEMBL20814902 0.78
SCHEMBL20814805 0.77 CYP11B1 (0.37)
SCHEMBL20814937 0.77 CDC25A (0.32)
SCHEMBL20814751 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935297-B1 BRIDGED METALLOCENE COMPOUNDS, CATALYST SYSTEMS AND PROCESSES FOR POLYMERIZATION THEREWITH EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-03-20 EP claimed