SCHEMBL8715749

SCHEMBL8715749

O=C(O)c1n[nH]c2c(OCc3ccccc3)cccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.49
MRGPRX4 Q96LA9 5/20 0.47
LTA4H P09960 1/20 0.45
PLA2G2A P14555 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
FOLH1 Q04609 1/20 0.44
SGMS2 Q8NHU3 2/20 0.44
PTGER1 P34995 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EDNRA P25101 1/20 0.42
HAO1 Q9UJM8 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL8877169 0.90 LTA4H (0.46) SRD5A2MRGPRX4LTA4HPLA2G2ATRPM8
SCHEMBL7373630 0.85 KDM4E (0.53) TDP1L3MBTL1
SCHEMBL7374645 0.82 PRKAG1 (0.46) MAPTTDP1HTT
SCHEMBL29617921 0.79 LTA4H (0.48) SRD5A2LTA4HPLA2G2ATRPM8ADORA3
SCHEMBL2858690 0.79 CDK9 (0.54) MAPTL3MBTL1HTT
SCHEMBL2857475 0.75 TRPA1 (0.49) MAPTL3MBTL1HTT
SCHEMBL16714058 0.75 LTA4H (0.60) SRD5A2MRGPRX4LTA4HPLA2G2ATRPM8
SCHEMBL2426791 0.72 LTA4H (0.58) LTA4HSGMS2
SCHEMBL30848623 0.72 LTA4H (0.58) LTA4HSGMS2
SCHEMBL492695 0.72 HAO1 (0.60) SRD5A2LTA4HPLA2G2AHAO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 EP disclosed
US-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 US disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 EP disclosed