SCHEMBL7921183

SCHEMBL7921183

CC(=O)NC(=O)c1ccc(OCCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.58
PLK1 P53350 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.56
GAA P10253 2/20 0.54
NR1I2 O75469 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 2/20 0.50
MAPT P10636 1/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
MMP1 P03956 1/20 0.46

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
SCHEMBL7915934 0.87 MAPT (0.59) TBXAS1PLK1SMN1; SMN2KDM4EHTT
SCHEMBL4751615 0.86 PLK1 (0.75) TBXAS1PLK1SMN1; SMN2HTTGAA
SCHEMBL7921171 0.83 PLK1 (0.74) PLK1SMN1; SMN2KDM4EHTTL3MBTL1
SCHEMBL20424310 0.81 GAA (0.59) PLK1GAANR1I2NPC1MAPT
SCHEMBL78852 0.80 L3MBTL1 (0.78) GAANR1I2L3MBTL1MAPTALDH1A1
SCHEMBL7916855 0.80 PLK1 (0.57) TBXAS1PLK1SMN1; SMN2KDM4EHTT
SCHEMBL17431019 0.79 AOC3 (0.56) PLK1SMN1; SMN2HTTGAANR1I2
SCHEMBL5180990 0.78 MAPT (0.64) SMN1; SMN2KDM4EGAANPC1MAPT
SCHEMBL18914860 0.78 PLK1 (0.73) TBXAS1PLK1SMN1; SMN2HTTGAA
SCHEMBL22192224 0.78 MAPT (0.64) SMN1; SMN2KDM4EGAANPC1MAPT

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
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 WO disclosed