SCHEMBL6845532

SCHEMBL6845532

CC(=O)C(O)c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1.CC(=O)C(O[Si](C)(C)C)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
ENPP2 Q13822 4/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GPR17 Q13304 1/20 0.38
MAOB P27338 1/20 0.37
GAA P10253 1/20 0.37
G6PD P11413 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
PPARG P37231 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
ENPP3 O14638 3/20 0.36
ENPP1 P22413 3/20 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
SCHEMBL1825224 0.90 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL1823046 0.87 KMT2A (0.50) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL1823478 0.86 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL1824470 0.81 ADRB3 (0.42) ALDH1A1MAPTHTTLMNAGPR17
SCHEMBL1825230 0.80 TDP1 (0.47) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL1823402 0.79 GPR17 (0.44) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL1827022 0.79 KMT2A (0.52) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL1825719 0.78 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL1826096 0.78 KMT2A (0.45) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL1823779 0.77 ALDH1A1 (0.46) ALDH1A1MAPTHTTENPP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed