SCHEMBL20814731

SCHEMBL20814731

CC1=C(C)C([Zr](C2C=C(c3cccc(C(F)(F)F)c3)c3ccccc32)=[Si](C)C)C(C)=C1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
MAOB P27338 3/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
HPGD P15428 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IKBKB O14920 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
SCHEMBL20814897 0.92 TACR1 (0.31)
SCHEMBL20814968 0.90 KIF11 (0.32)
SCHEMBL20814858 0.89 BACE1 (0.32)
SCHEMBL20814796 0.87 HTR1A (0.30) HTR1AHTR7
SCHEMBL20814726 0.86
SCHEMBL20814683 0.84
SCHEMBL20814852 0.84 BRD4 (0.32) HTR1AHTR7BRD4
SCHEMBL20814848 0.83
SCHEMBL20814762 0.82 HSD11B1 (0.33)
SCHEMBL20814921 0.82

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