SCHEMBL6551973

SCHEMBL6551973

CC(NCCC(=O)OC(C)(C)C)c1c2ccccc2c(C(C)NCCC(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA9 Q16790 1/20 0.40
PTPRC P08575 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
CA1 P00915 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL4331889 0.85 CA12 (0.49) CA12CA7CA14CA9L3MBTL1
SCHEMBL3670762 0.77 CYP2D6 (0.41) CA12CA7CA14KMT2AMEN1
SCHEMBL2276846 0.76 ALDH1A1 (0.41) AAK1
SCHEMBL30594087 0.75 CYP2D6 (0.42) CA12CA7CA14CA9PTPRC
SCHEMBL3243656 0.75 S1PR5 (0.43) CA12CA7CA14PTPRCKMT2A
SCHEMBL2134853 0.74 POLB (0.49) L3MBTL1
SCHEMBL2134843 0.74 POLB (0.49) L3MBTL1
SCHEMBL2137272 0.74 POLB (0.49) L3MBTL1
Hydrochloric Acid SCHEMBL7265962 0.74 KMT2A (0.46) CA12CA7CA14CA9L3MBTL1
SCHEMBL6551970 0.73 SLC2A1 (0.37) PTPRCKMT2AMEN1NPC1GAA

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-1388014-A2 DETECTION OF GLUCOSE IN SOLUTIONS Sensors for Medicine and Science, Inc. (US) 2004-02-11 EP disclosed
WO-2002057788-A2 DETECTION OF GLUCOSE IN SOLUTIONS ALSO CONTAINING AN ALPHA-HYDROXY ACID OR A BETA-DIKETONE SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2002-07-25 WO disclosed