SCHEMBL7526480

SCHEMBL7526480

CCOC(=O)C=Cc1ccc(N(CC)CC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
CYP3A4 P08684 1/20 0.58
TTR P02766 1/20 0.57
DPP4 P27487 1/20 0.57
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
POLB P06746 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPK1 P28482 2/20 0.56
RECQL P46063 2/20 0.56
TLR9 Q9NR96 2/20 0.56
USP2 O75604 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL22160149 1.00 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL10939791 0.87 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL5059085 0.87 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL13957401 0.87 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL10888420 0.86 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL22160147 0.86 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL10851526 0.86 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL13957063 0.86 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL28367782 0.86 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL7746909 0.85 CA12 (0.63) CA12CA1CA2CA7CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914322-B Polymerizable composition for optical material, and use thereof 三井化学株式会社 2022-08-23 CN disclosed
CN-110914322-A Polymerizable composition for optical material, and use thereof 三井化学株式会社 2020-03-24 CN disclosed
EP-0892067-B1 FLUORESCENT ENZYME SUBSTRATES AND METHOD FOR ASSAYING ENZYMATIC ACTIVITY LAB MOLECULAR BIOPHOTONICS (JP) 2002-03-13 EP disclosed
US-6207365-B1 AN ENZYME SUBSTRATE WITH A CLEAVABLE CARBOXYL, PHOSPHORIC ACID, OR SULFURIC ACID GROUP WHICH UNDERGOES INTRAMOLECULAR LACTONIZATION TO FORM A STRONGLY FLUORESCENT COUMARIN DERIVATIVE; FOR DETECTING ENZYME ACTIVITY LABORATORY OF MOLECULAR BIOPHOTONICS (JP) 2001-03-27 US disclosed
EP-0892067-A1 FLUORESCENT ENZYME SUBSTRATES AND METHOD FOR ASSAYING ENZYMATIC ACTIVITY Laboratory of Molecular Biophotonics (JP) 1999-01-20 EP disclosed