SCHEMBL20814889

SCHEMBL20814889

COc1ccc(C2=CC([Zr](C3C(C)=C(C)C(C)=C3C)=[Si](C)C)c3ccccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
ABL1 P00519 1/20 0.34
ABCB1 P08183 1/20 0.34
BCR P11274 1/20 0.34
BACE1 P56817 3/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 4/20 0.31
NPC1 O15118 3/20 0.31
TP53 P04637 3/20 0.31
MAPT P10636 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 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
SCHEMBL20815077 0.90 ABL1 (0.36) ABL1ABCB1BCRCYP3A4CYP2C9
SCHEMBL20814787 0.88
SCHEMBL20814715 0.88 EDNRB (0.35) EDNRBEDNRAMEN1KMT2ATDP1
SCHEMBL20815057 0.86 BRD4 (0.30)
SCHEMBL20815099 0.86 HTR2C (0.33)
SCHEMBL20814813 0.85 EDNRB (0.32) EDNRBEDNRA
SCHEMBL20814756 0.84
SCHEMBL20814792 0.84 GSTP1 (0.31)
SCHEMBL20814956 0.83 APP (0.31) RAB9AALDH1A1
SCHEMBL20814800 0.83 POLB (0.30) MAPT

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