SCHEMBL28030157

SCHEMBL28030157

CNc1c[nH]c2cccc(OCc3ccccc3)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.58
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
APP P05067 1/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
BRD4 O60885 1/20 0.43
SGMS2 Q8NHU3 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
SRD5A2 P31213 1/20 0.41
LIPE Q05469 1/20 0.41
EDNRA P25101 1/20 0.40
LTA4H P09960 1/20 0.40
PLA2G2A P14555 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
DCPS Q96C86 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL28374945 0.82 HTR2A (0.63) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL1013397 0.81 HTR2A (0.62) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL28167742 0.81 HTR2A (0.62) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL23805245 0.80 HTR2A (0.72) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL3052285 0.78 HTR2A (0.59) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL23805228 0.76 HTR2A (0.51) HTR2AKMT2AMEN1BRD4SGMS2
SCHEMBL23805297 0.76 HTR2A (0.67) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL11263785 0.76 HTR2A (0.67) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL11068196 0.76 HTR2A (0.67) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL7366247 0.76 HTR2A (0.77) HTR2AMAPTMAPK1TDP1L3MBTL1

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
CN-104814973-A Application of Cappariloside A in preparation of medicine for treating influenzas and inflammatory diseases mediated by influenza viruses 1ST AFFILIATED HOSPITAL GUANGZHOU MEDICAL UNIV 2015-08-05 CN disclosed