SCHEMBL3395533

SCHEMBL3395533

O=C(c1ccc(OCc2ccccc2)cc1)C(Br)Br

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.68
NR4A2 P43354 1/20 0.68
NR4A3 Q92570 1/20 0.68
MAOB P27338 1/20 0.64
PARP10 Q53GL7 1/20 0.64
SRD5A2 P31213 1/20 0.62
PLA2G4B P0C869 1/20 0.59
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
PTPRC P08575 2/20 0.54
PTPN1 P18031 2/20 0.54
PTPN2 P17706 1/20 0.54
FFAR1 O14842 1/20 0.54

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
SCHEMBL103047 0.88 MAOB (0.65) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL30285989 0.88 PARP10 (0.65) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL11751543 0.88 NR4A2 (0.64) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL27529019 0.86 NR4A1 (0.62) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL13772738 0.86 NR4A1 (0.62) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL10844954 0.85 NR4A1 (0.70) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL6812863 0.85 MAOB (0.61) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL13826563 0.84 SMN1; SMN2 (0.68) MAOBPARP10PLA2G4BCYP1A2PTPRC
SCHEMBL6816962 0.84 MAOB (0.69) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL10845248 0.84 NR4A1 (0.68) NR4A1NR4A2NR4A3MAOBPARP10

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed