SCHEMBL460991

SCHEMBL460991

CC1(S)CC(=O)c2ccccc2C1=O.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALOX12 P18054 2/20 0.39
RECQL P46063 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CA7 P43166 1/20 0.39
BACE1 P56817 1/20 0.39
CA9 Q16790 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
GFER P55789 1/20 0.35
APAF1 O14727 1/20 0.34

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
SCHEMBL28680129 0.78 POLB (0.54) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL12822665 0.74 POLB (0.51) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL25835259 0.74 POLB (0.51) POLBKMT2AMEN1ALDH1A1L3MBTL1
Menadione Sulfurous Acid SCHEMBL459627 0.72 POLB (0.65) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7760631 0.71 MEN1 (0.47) POLBKMT2AMEN1ALDH1A1L3MBTL1
Menadione Sulfurous Acid SCHEMBL460404 0.70 POLB (0.68) POLBKMT2AMEN1ALDH1A1L3MBTL1
Menadione Sulfurous Acid SCHEMBL461613 0.70 POLB (0.68) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL18309831 0.70 MEN1 (0.69) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL29244104 0.69 KMT2A (0.46) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL2724212 0.69 ALDH1A1 (0.54) POLBKMT2AMEN1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595615-A1 VITAMIN C AND CHROMIUM-FREE VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATING AN NFKB-MEDIATED CONDITION OR DISEASE Summa Health System (US) 2013-05-29 EP claimed
WO-2012012370-A1 VITAMIN C AND CHROMIUM-FREE VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATING AN NFKB-MEDIATED CONDITION OR DISEASE SUMMA HEALTH SYSTEM (US) 2012-01-26 WO claimed
EP-2595615-A1 VITAMIN C AND CHROMIUM-FREE VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATING AN NFKB-MEDIATED CONDITION OR DISEASE Summa Health System (US) 2013-05-29 EP disclosed
WO-2012012370-A1 VITAMIN C AND CHROMIUM-FREE VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATING AN NFKB-MEDIATED CONDITION OR DISEASE SUMMA HEALTH SYSTEM (US) 2012-01-26 WO disclosed