SCHEMBL4884380

SCHEMBL4884380

Oc1ccccc1C1COc2ccccc2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.49
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TTR P02766 1/20 0.43
ALOX15 P16050 4/20 0.42
ALOX12 P18054 4/20 0.42
ALOX15B O15296 3/20 0.42
ADORA3 P0DMS8 1/20 0.41
AR P10275 1/20 0.41
HSD11B1 P28845 1/20 0.41
AKR1C3 P42330 1/20 0.41
DRD1 P21728 4/20 0.40
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
ROCK2 O75116 2/20 0.39

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
SCHEMBL30702607 0.80 NISCH (0.49) NISCHESR1ESR2TTRROCK2
SCHEMBL27509560 0.78 CHRNB2 (0.44) ALOX15ADORA3ARHSD11B1AKR1C3
SCHEMBL4732107 0.77 NISCH (0.44) NISCHROCK2
SCHEMBL7531682 0.77 ESR2 (0.71) NISCHESR1ESR2TTRALOX15
SCHEMBL30615439 0.76 NISCH (0.46) NISCHESR1ESR2ROCK2
SCHEMBL13840367 0.76 ALOX15 (0.56) NISCHESR1ESR2TTRALOX15
SCHEMBL577507 0.75 NISCH (0.54) NISCHESR1ESR2TTRALOX15
SCHEMBL31264767 0.75 NISCH (0.54) NISCHESR1ESR2TTRALOX15
SCHEMBL29149123 0.73 ALOX15 (0.47) NISCHESR1ESR2TTRALOX15
SCHEMBL31290565 0.71 TTR (0.68) ESR1ESR2TTRALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432425-B2 Isoflavonoid methylation enzyme THE SAMUEL ROBERTS NOBLE FOUNDATION (US) 2008-10-07 US disclosed
US-20050150010-A1 Isoflavonoid methylation enzyme NOBLE RESEARCH INSTITUTE, LLC 2005-07-07 US disclosed
US-6878859-B1 Isoflavonoid methylation enzyme THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2005-04-12 US disclosed
EP-1183376-A1 ISOFLAVONOID METHYLATION ENZYME The Samuel Roberts Noble Foundation, Inc. (US) 2002-03-06 EP disclosed
WO-2000071736-A1 ISOFLAVONOID METHYLATION ENZYME THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2000-11-30 WO disclosed