SCHEMBL5050752

SCHEMBL5050752

COCCOc1ccc(CC=O)cc1OCCOC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
FDPS P14324 1/20 0.47
PPARA Q07869 3/20 0.45
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4775183 0.93 MEN1 (0.53) MEN1NPC1KMT2AL3MBTL1FDPS
SCHEMBL881495 0.88 MEN1 (0.45) MEN1NPC1KMT2AL3MBTL1FDPS
SCHEMBL16973543 0.85 PPARA (0.50) MEN1NPC1KMT2AL3MBTL1FDPS
SCHEMBL11864849 0.80 TACR2 (0.51) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL13185202 0.80 BIRC5 (0.46) MEN1NPC1KMT2AL3MBTL1FDPS
SCHEMBL13062645 0.80 FDPS (0.42) MEN1NPC1KMT2AL3MBTL1FDPS
SCHEMBL1766003 0.79 PPARA (0.54) MEN1NPC1KMT2AL3MBTL1FDPS
SCHEMBL8788295 0.79 FDPS (0.51) MEN1NPC1KMT2AL3MBTL1FDPS
SCHEMBL3401269 0.79 CSNK2A1 (0.51) MEN1NPC1KMT2AL3MBTL1FDPS
SCHEMBL1057005 0.79 NPC1 (0.47) MEN1NPC1KMT2AL3MBTL1FDPS

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-2008035209-A2 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-27 WO disclosed