SCHEMBL5600754

SCHEMBL5600754

C1=CCC([Zr]C2C(n3c4c(c5ccccc53)CCC4)=Cc3ccccc32)=C1.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
FABP4 P15090 1/20 0.30
HTR6 P50406 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
SCHEMBL5602649 0.98 CA1 (0.34) CA1CA2KDM4EMEN1GLA
SCHEMBL6447102 0.94 CA1 (0.33) CA1CA2KDM4EMEN1KMT2A
Chloromethane SCHEMBL5603580 0.92 CA1 (0.34) CA1CA2KDM4EMEN1KMT2A
Chloromethane SCHEMBL5601328 0.90 CA1 (0.35) CA1CA2KDM4EMEN1GLA
SCHEMBL5600185 0.88
SCHEMBL5603025 0.85 CA1 (0.40) CA1CA2KDM4EMEN1GLA
SCHEMBL5601557 0.84
SCHEMBL5603771 0.83 CA1 (0.41) CA1CA2KDM4EMEN1GLA
SCHEMBL5603109 0.83 CA1 (0.33) CA1CA2KDM4E
SCHEMBL5603275 0.81 CA1 (0.33) CA1CA2KDM4EMEN1GLA

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
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed