SCHEMBL2236265

SCHEMBL2236265

Cc1ccc(C2=Cc3c(ccc(C)c3-c3ccc4ccccc4c3)C2[Zr](C2C(c3ccc(C)o3)=Cc3c2ccc(C)c3-c2ccc3ccccc3c2)=[Si](C)C)o1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.31
PTGS2 P35354 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
Hydrochloric Acid SCHEMBL17060065 0.88 PTGS2 (0.31) PTGS2
SCHEMBL15810075 0.88 PTGS1 (0.35) PTGS2
SCHEMBL17096815 0.87 PTGS1 (0.36) PTGS2
Hydrochloric Acid SCHEMBL17096874 0.86 PTGS1 (0.36) PTGS2
SCHEMBL2234872 0.85 SLC9A1 (0.33)
SCHEMBL2235679 0.83
SCHEMBL22499689 0.82 ALDH1A1 (0.34) IKBKBPTGS2
SCHEMBL2236952 0.82
SCHEMBL2233701 0.81 IKBKB (0.35) IKBKBPTGS2
SCHEMBL15810028 0.81

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-2360163-B1 METALLOCENE COMPLEX AND METHOD FOR POLYMERIZING OLEFIN JAPAN POLYPROPYLENE CORP (JP) 2014-06-25 EP disclosed
EP-2360163-A1 METALLOCENE COMPLEX AND METHOD FOR POLYMERIZING OLEFIN Japan Polypropylene Corporation (JP) 2011-08-24 EP disclosed