SCHEMBL5728601

SCHEMBL5728601

CC(C)N(C)c1ccc(C=O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.54
TRIM24 O15164 2/20 0.46
TRIM33 Q9UPN9 2/20 0.46
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
KDM4E B2RXH2 3/20 0.36
THRB P10828 2/20 0.36
RGS12 O14924 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL5147106 0.88 TYR (0.53) TYRTRIM24TRIM33PIK3CDPIK3CA
SCHEMBL14940735 0.84 TYR (0.56) TYRTRIM24TRIM33PIK3CDPIK3CA
SCHEMBL11836616 0.83 TYR (0.47) TYRTRIM24TRIM33PIK3CDPIK3CA
SCHEMBL1001895 0.82 TYR (0.52) TYRTRIM24TRIM33PIK3CDPIK3CA
SCHEMBL29446225 0.82 TYR (0.52) TYRTRIM24TRIM33PIK3CDPIK3CA
SCHEMBL6743499 0.79 MAPT (0.42) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL6743504 0.78 KDM4E (0.45) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL5147111 0.77 CYBB (0.49) TYRTRIM24TRIM33ALDH1A1MEN1
SCHEMBL5729223 0.76 TYR (0.46) TYRTRIM24TRIM33ALDH1A1MEN1
SCHEMBL11823877 0.76 TYR (0.42) TYRTRIM24TRIM33PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194514-B1 METAL COMPLEXES OF TRIPODAL LIGANDS CIBA SC HOLDING AG (CH) 2006-01-11 EP disclosed
US-6800775-B1 PROCESS FOR OXIDATION, WHICH COMPRISES OXIDIZING OXIDIZABLE SUBSTRATE WITH MIXTURE OF PEROXYGEN COMPOUND AND, AS OXIDATION CATALYST, MANGANESE(III) OR IRON(III) METAL COMPLEX CONTAINING SPECIFIED TRIPODAL LIGAND CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 US disclosed
US-6689733-B1 ENHANCING ACTION OF PEROXY COMPOUNDS; WASHING, CLEANING, DISINFECTING CIBA SPECIALTY CHEMICALS CORPORATION 2004-02-10 US disclosed
EP-1194514-A1 METAL COMPLEXES OF TRIPODAL LIGANDS Ciba SC Holding AG (CH) 2002-04-10 EP disclosed
CN-1343198-A Manganese complexes of salen ligands and the use thereof CIBA SC HOLDING AG (CH) 2002-04-03 CN disclosed
EP-1159259-A1 MANGANESE COMPLEXES OF SALEN LIGANDS AND THE USE THEREOF Ciba SC Holding AG (CH) 2001-12-05 EP disclosed
WO-2001005925-A1 METAL COMPLEXES OF TRIPODAL LIGANDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-01-25 WO disclosed
WO-2000053574-A1 MANGANESE COMPLEXES OF SALEN LIGANDS AND THE USE THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-09-14 WO disclosed