SCHEMBL6408450

SCHEMBL6408450

[CH2]c1ccc(OCc2ccccc2Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.61
MAOB P27338 3/20 0.59
MAOA P21397 1/20 0.59
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 1/20 0.51
RAD52 P43351 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
IDO1 P14902 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTPN1 P18031 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL7170719 0.90 NR4A2 (0.71) NR4A2MAOBMAOAMAPTTP53
SCHEMBL9812484 0.84 NR4A2 (0.69) NR4A2MAOBMAOAMAPTTP53
SCHEMBL3618405 0.83 MAPT (0.70) NR4A2MAOBMAOAMAPTTP53
SCHEMBL11849613 0.81 NR4A2 (0.66) NR4A2MAOBMAOAMAPTTP53
SCHEMBL11093923 0.81 MAOB (0.69) NR4A2MAOBMAOAMAPTTP53
SCHEMBL13483791 0.81 MAOB (0.64) NR4A2MAOBMAOAMAPTTP53
SCHEMBL6333131 0.79 SMN1; SMN2 (0.62) NR4A2MAOBMAOAMEN1KMT2A
SCHEMBL6331482 0.79 NR4A2 (0.48) NR4A2MAOBMAOAMAPTMEN1
SCHEMBL6326819 0.79 NR4A2 (0.63) NR4A2MAPTMEN1KMT2ANPSR1
SCHEMBL29001619 0.78 SMN1; SMN2 (0.66) NR4A2MAOBMAOAMAPTTP53

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
US-6841661-B2 Glycopeptide antibacterial compounds, compositions containing same and methods of using same PRINCETON UNIVERISITY (US) 2005-01-11 US disclosed
US-6498238-B1 Glycopeptide antibacterial compounds, compositions containing same and methods of using same PRINCETON UNIVERSITY 2002-12-24 US disclosed