SCHEMBL5081765

SCHEMBL5081765

CCCCC(CC)CC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC(CC)CCCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.46
CA1 P00915 4/20 0.46
CYP3A4 P08684 4/20 0.45
TSHR P16473 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL28973531 0.85 CA2 (0.50) CA2CA1CYP3A4TSHRATM
SCHEMBL32980 0.84 CA2 (0.63) CA2CA1CYP3A4TSHRATM
SCHEMBL80087 0.84 CA2 (0.63) CA2CA1CYP3A4TSHRATM
SCHEMBL8349420 0.84 CA2 (0.63) CA2CA1CYP3A4TSHRATM
SCHEMBL80938 0.84 CA2 (0.63) CA2CA1CYP3A4TSHRATM
SCHEMBL80365 0.84 CA2 (0.63) CA2CA1CYP3A4TSHRATM
SCHEMBL417397 0.84 CA2 (0.63) CA2CA1CYP3A4TSHRATM
SCHEMBL8346686 0.84 CA2 (0.63) CA2CA1CYP3A4TSHRATM
SCHEMBL33052 0.84 CA2 (0.63) CA2CA1CYP3A4TSHRATM
SCHEMBL80805 0.84 CA2 (0.63) CA2CA1CYP3A4TSHRATM

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-7390532-B2 Nanocomposite; nanoparticles in matrix; dispersion of particles in curable matrix; generating potential interface variations LEIBNIZ-INSTITUT FUER NEUE MATERIALIEN GEMEINNUETZIGE GMBH (DE) 2008-06-24 US disclosed
US-20050059760-A1 Method for the production of optical elements with gradient structures INSTITUT FUR NEUE MATERIALIEN GEM. GMBH. (DE) 2005-03-17 US disclosed