SCHEMBL5148472

SCHEMBL5148472

CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCCCO[Zr].[Zr+4].[Zr+4].[Zr+4]

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CA2 P00918 4/20 0.37
CA1 P00915 3/20 0.34
ATM Q13315 1/20 0.32
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CES1 P23141 1/20 0.31
CES2 O00748 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
SCHEMBL11097100 0.84 ALDH1A1 (0.41) ALDH1A1CA2CA1ATMTSHR
SCHEMBL5151218 0.82 ALDH1A1 (0.36) ALDH1A1CA2CA1ATMTSHR
SCHEMBL819567 0.81 ALDH1A1 (0.42) ALDH1A1CA2CA1ATMTSHR
SCHEMBL1434561 0.81 ALDH1A1 (0.38) ALDH1A1CA2CA1ATMTSHR
SCHEMBL2671974 0.81 CA2 (0.42) ALDH1A1CA2CA1ATM
SCHEMBL542928 0.80 ALDH1A1 (0.37) ALDH1A1CA2CA1ATMTSHR
SCHEMBL2672084 0.80 ALDH1A1 (0.37) ALDH1A1CA2CA1ATMTSHR
SCHEMBL21544058 0.80 ALDH1A1 (0.37) ALDH1A1CA2CA1ATMTSHR
SCHEMBL1361045 0.80 CA2 (0.41) ALDH1A1CA2CA1ATMTSHR
SCHEMBL17106070 0.80 CA2 (0.41) ALDH1A1CA2CA1ATMTSHR

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-20070177271-A1 Antireflection film, polarizing plate and image display FUJIFILM CORPORATION (JP) 2007-08-02 US disclosed