SCHEMBL11032267

SCHEMBL11032267

CC(C)(C)OC(=O)c1ccc(OCCCCCCBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
PLA2G4B P0C869 1/20 0.48
RARB P10826 3/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL5577218 0.92 PPARA (0.48) GAAL3MBTL1MAPTTP53TSHR
SCHEMBL5577217 0.92 PPARA (0.48) GAAL3MBTL1MAPTTP53TSHR
SCHEMBL26091436 0.88 GAA (0.54) GAAL3MBTL1MAPTTP53TSHR
SCHEMBL26088754 0.88 GAA (0.54) GAAL3MBTL1MAPTTP53TSHR
SCHEMBL1743906 0.86 MAPT (0.53) GAAL3MBTL1MAPTTP53TSHR
SCHEMBL558993 0.86 MAPT (0.53) GAAL3MBTL1MAPTTP53TSHR
SCHEMBL26092045 0.86 MAPT (0.53) GAAL3MBTL1MAPTTP53TSHR
SCHEMBL4538607 0.85 PPARA (0.58) GAAL3MBTL1MAPTTP53TSHR
SCHEMBL1745096 0.85 PPARA (0.58) GAAL3MBTL1MAPTTP53TSHR
SCHEMBL20567660 0.85 PPARA (0.58) GAAL3MBTL1MAPTTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0111345-A2 Isoxazoles, useful as antiviral agents, and preparation thereof STERLING DRUG INC. (US) 1984-06-20 EP disclosed
US-4451476-A Isoxazoles as antiviral agents STERLING DRUG INC. (US) 1984-05-29 US disclosed