SCHEMBL7080600

SCHEMBL7080600

COc1cc(COC2CN(OC(=O)OC(C)(C)C)CCC2c2ccc(OCc3nc(-c4cccs4)no3)cc2)c(OC)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
REN P00797 2/20 0.39
FFAR1 O14842 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 3/20 0.37
PKM P14618 2/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.34

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
SCHEMBL7081354 0.90 REN (0.42) MAPTTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL7080024 0.90 REN (0.41) MAPTTSHRMEN1KMT2AREN
SCHEMBL6042838 0.88 MAPT (0.44) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL7080728 0.87 REN (0.49) MAPTTSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL7079374 0.86 MAPT (0.41) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL7083148 0.84 MAPT (0.40) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL7083159 0.84 REN (0.51) REN
SCHEMBL6961201 0.83 MAPT (0.45) MAPTTSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL7076956 0.82 REN (0.41) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7076766 0.82 REN (0.54) REN

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-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed