SCHEMBL5890481

SCHEMBL5890481

CCCCC1=Cc2c(-c3ccccc3-c3cccc4ccccc34)cccc2C1[Zr](Cl)(Cl)(C1C(CCCC)=Cc2c(-c3ccccc3-c3cccc4ccccc34)cccc21)[SiH](C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.33
ALOX15 P16050 2/20 0.32
CNR2 P34972 1/20 0.32
TLR8 Q9NR97 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
SCHEMBL141781 0.99 CNR1 (0.34) CNR1ALOX15CNR2TLR8
SCHEMBL141430 0.96 CNR1 (0.38) CNR1ALOX15CNR2TLR8
SCHEMBL140832 0.95 CNR1 (0.39) CNR1ALOX15CNR2TLR8
SCHEMBL5890108 0.93 ALOX15 (0.31) CNR1ALOX15
SCHEMBL138392 0.92 ALOX15 (0.32) CNR1ALOX15
SCHEMBL138908 0.88 ALOX15 (0.31) ALOX15
SCHEMBL139104 0.87 CNR1 (0.30) CNR1
SCHEMBL689521 0.87 CNR1 (0.35) CNR1ALOX15CNR2TLR8
SCHEMBL138462 0.87 CNR1 (0.31) CNR1
SCHEMBL5891194 0.85 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