SCHEMBL5776548

SCHEMBL5776548

CCOC(=O)c1[nH]c2ccc(B3OC(C)(C)C(C)(C)O3)cc2c1CCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTR6 P50406 2/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1A P08908 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1F P30939 1/20 0.46
HTR7 P34969 1/20 0.46
ALOX15 P16050 2/20 0.45
NQO2 P16083 1/20 0.43
ALOX5 P09917 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL2997290 0.80 ALDH1A1 (0.46) ALDH1A1MAPTALOX15HSD17B10CYP1A2
SCHEMBL7381366 0.73 HTR6 (0.74) ALDH1A1MAPTNPSR1HTR6DRD2
SCHEMBL5746891 0.72 KMT2A (0.52) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL488403 0.72 KDM4E (0.61) ALDH1A1MAPTMEN1KMT2AALOX15
SCHEMBL5472147 0.70 KDM4E (0.55) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL1345949 0.70 ALDH1A1 (0.59) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL1346088 0.69 KMT2A (0.51) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL1343970 0.69 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL1344093 0.69 ALDH1A1 (0.58) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL8938451 0.69 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AHTR6

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-1646624-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2006-04-19 EP disclosed
WO-2005005415-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-01-20 WO disclosed