SCHEMBL20913261

SCHEMBL20913261

Cc1ccc(C(c2ccc(C)cc2)=[Zr](C2C=CC=C2)C2c3cc(C)ccc3-c3ccc(C)cc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 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
SCHEMBL20721333 0.87 NPC1 (0.35) CA9CA12CA1LMNA
SCHEMBL20721353 0.80
SCHEMBL20721345 0.79 NPC1 (0.35) CA9CA12CA1LMNA
SCHEMBL20721347 0.76 LMNA (0.31) LMNA
SCHEMBL21406930 0.75 CA9 (0.31) CA9CA12CA1
SCHEMBL21406961 0.75 CA9 (0.31) CA9CA12CA1
SCHEMBL21407028 0.75 CA9 (0.31) CA9CA12CA1MEN1KMT2A
SCHEMBL21406918 0.75 TRPV1 (0.35) CA9CA12CA1
SCHEMBL20721377 0.75 POLB (0.37) CA9CA12CA1MEN1LMNA
SCHEMBL20440993 0.74 ALDH1A1 (0.34) CA9CA12CA1LMNA

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-2465879-B1 Bridged metallocene compound for olefin polymerization and method of polymerizing olefin using the same MITSUI CHEMICALS INC (JP) 2019-04-24 EP disclosed