SCHEMBL695766

SCHEMBL695766

CCCCCCCC1=Cc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c2C1[Zr](C1C(CCCCCCC)=Cc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c21)[SiH](C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
ALOX15 P16050 3/20 0.33
TLR8 Q9NR97 1/20 0.32
CNR2 P34972 1/20 0.32
GUCY1A1 Q02108 1/20 0.31
GUCY1B1 Q02153 1/20 0.31
MAPT P10636 2/20 0.31
PTPN1 P18031 1/20 0.30
KCNH2 Q12809 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
SCHEMBL696469 1.00 CNR1 (0.41) CNR1ALOX15TLR8CNR2GUCY1A1
SCHEMBL694721 0.99 CNR1 (0.40) CNR1ALOX15TLR8CNR2GUCY1A1
SCHEMBL694260 0.96 CNR1 (0.36) CNR1ALOX15TLR8CNR2
SCHEMBL696086 0.91 CNR1 (0.33) CNR1ALOX15
SCHEMBL694454 0.87 ALOX15 (0.31) ALOX15
SCHEMBL693430 0.85 GPR52 (0.32)
SCHEMBL690016 0.84 MAPT (0.35) CNR1MAPT
SCHEMBL690114 0.84 MAPT (0.35) CNR1MAPT
SCHEMBL689251 0.83 MAPT (0.33) CNR1MAPT
SCHEMBL5890351 0.83 CNR1 (0.34) CNR1ALOX15TLR8CNR2GUCY1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203486-B9 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-08-01 EP claimed
EP-2203486-B1 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-02-29 EP claimed