SCHEMBL888406

SCHEMBL888406

CCCCC(C)CC(COC)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
CA1 P00915 2/20 0.42
CPB2 Q96IY4 2/20 0.36
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL888504 0.89 CA2 (0.56) CA2CA1TSHRTDP1CYP3A4
SCHEMBL888537 0.87 CA2 (0.39) CA2CA1CPB2TSHRTDP1
SCHEMBL28017576 0.84 CA2 (0.53) CA2CA1CPB2TSHRTDP1
SCHEMBL819983 0.82 CA2 (0.40) CA2CA1TSHRTDP1CYP3A4
SCHEMBL4969502 0.81 CA2 (0.39) CA2CA1CPB2TSHRTDP1
SCHEMBL888269 0.79 CA2 (0.53) CA2CA1TSHRTDP1CYP3A4
SCHEMBL820507 0.79 HSD17B10 (0.38) CPB2SLC1A3SLC1A2ALDH1A1MEN1
SCHEMBL19347256 0.78 CA2 (0.40) CA2CA1CPB2TSHRTDP1
SCHEMBL888626 0.77 CPB2 (0.38) CA2CA1CPB2TSHRTDP1
SCHEMBL22604416 0.76 CPB2 (0.49) CA2CA1CPB2ACE2SLC1A2

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-20110269928-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed