SCHEMBL1503228

SCHEMBL1503228

OCc1c(O)cncc1COc1ccc(F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.43
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
INPPL1 O15357 2/20 0.36
SCN9A Q15858 2/20 0.35
SCN5A Q14524 1/20 0.35
SOS1 Q07889 1/20 0.34
ALOX5AP P20292 2/20 0.34
PPARG P37231 1/20 0.34
ALOX5 P09917 1/20 0.33
FYN P06241 1/20 0.33

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
Acetic Acid SCHEMBL27812979 0.93 MAOB (0.41) MAOBNPC1MAPTMAPK1HSD17B10
SCHEMBL30954800 0.81 DAO (0.39) MAOBNPC1MAPT
SCHEMBL4304503 0.78 PPARG (0.41) MAOBNPC1MAPTMAPK1HSD17B10
SCHEMBL1503267 0.76 HDAC1 (0.41) MAOBNPC1MAPTMAPK1HSD17B10
SCHEMBL30954808 0.76 HDAC1 (0.41) MAOBNPC1MAPTMAPK1HSD17B10
SCHEMBL2220322 0.75 ALDH1A1 (0.40) MAOBNPC1MAPTMAPK1HSD17B10
Acetic Acid SCHEMBL27812972 0.75 MAOB (0.43) MAOBNPC1MAPT
SCHEMBL22738223 0.74 SCN9A (0.41) MAOBNPC1MAPTMAPK1HSD17B10
SCHEMBL22738285 0.72 MEN1 (0.40) NPC1MAPTMAPK1HSD17B10SCN9A
SCHEMBL22719900 0.72 GRIN1 (0.40) SCN9ASCN5A

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
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP claimed