SCHEMBL5890356

SCHEMBL5890356

CCCCC1=Cc2c(-c3ccccc3C(F)(F)F)cccc2C1[Zr](C1C(CCCC)=Cc2c(-c3ccccc3C(F)(F)F)cccc21)[SiH](C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.34
TLR8 Q9NR97 1/20 0.32
CTSK P43235 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5890650 0.93 CTSK (0.34) HSD11B1CTSK
SCHEMBL5890019 0.84 BCHE (0.31)
SCHEMBL5890401 0.84 BCHE (0.31)
SCHEMBL5889874 0.83 AKR1C3 (0.30)
SCHEMBL5890904 0.83
SCHEMBL5890506 0.83 BCHE (0.30)
SCHEMBL5889966 0.83 BCHE (0.30)
SCHEMBL5890351 0.81 CNR1 (0.34) TLR8
SCHEMBL5891344 0.81
SCHEMBL5890369 0.81 BCHE (0.30)

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
US-7122498-B2 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-10-17 US disclosed