SCHEMBL11067263

SCHEMBL11067263

Cc1ccc(OCc2ccccc2)c(N)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
MAPK14 Q16539 1/20 0.58
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.49
ATP4A P20648 1/20 0.49
ATP4B P51164 1/20 0.49
DCPS Q96C86 1/20 0.49
STAT3 P40763 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GRM5 P41594 1/20 0.47

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
SCHEMBL16491623 0.83 HTT (0.59) MAPTMAPK1TDP1L3MBTL1ATP4A
SCHEMBL8283853 0.81 TSHR (0.50) LTA4HMAPK14MAPTMAPK1TDP1
SCHEMBL3943486 0.80 L3MBTL1 (0.51) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL16415760 0.80 MEN1 (0.52) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL2675108 0.80 LTA4H (0.58) LTA4HMAPK14MAPTMAPK1TDP1
SCHEMBL3869852 0.78 L3MBTL1 (0.49) MAPTMAPK1TDP1L3MBTL1TSHR
SCHEMBL12226851 0.78 L3MBTL1 (0.49) MAPTMAPK1TDP1L3MBTL1TSHR
SCHEMBL4502335 0.78 MAPT (0.49) MAPTMAPK1TDP1L3MBTL1TSHR
SCHEMBL6480247 0.78 GRM5 (0.54) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL8561627 0.76 BDKRB2 (0.52) DCPSSMN1; SMN2

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
US-4450164-A ANTIULCER AND ANTISECRETORY AGENTS SCHERING CORPORATION (US) 1984-05-22 US disclosed