SCHEMBL9733516

SCHEMBL9733516

CCC(O)C(=O)c1ccc(OCCCBr)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
PLA2G4B P0C869 3/20 0.45
SLC2A1 P11166 1/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RARB P10826 3/20 0.42
PLK1 P53350 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
SCHEMBL13840106 0.84 NR1I2 (0.56) L3MBTL1GAAHTTTP53TSHR
SCHEMBL8787577 0.80 L3MBTL1 (0.49) L3MBTL1GAATP53TSHRPLA2G4B
SCHEMBL1334249 0.78 L3MBTL1 (0.58) L3MBTL1GAAHTTTP53TSHR
SCHEMBL9739233 0.77 HTT (0.48) L3MBTL1GAAHTTTP53TSHR
SCHEMBL1334332 0.77 L3MBTL1 (0.79) L3MBTL1GAAMAPTLMNA
SCHEMBL12321296 0.77 L3MBTL1 (0.55) L3MBTL1GAATP53TSHRPLA2G4B
SCHEMBL19024978 0.77 GAA (0.58) L3MBTL1GAATP53TSHRMAPT
SCHEMBL10548754 0.77 MAPK1 (0.47) L3MBTL1GAAHTTTP53TSHR
SCHEMBL1925564 0.75 PKM (0.67) L3MBTL1HTTTP53TSHRPLA2G4B
SCHEMBL27873175 0.75 L3MBTL1 (0.53) L3MBTL1GAATP53TSHRPLA2G4B

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
US-5098613-A Aromatic ethers for treatment of mammals ELI LILLY AND COMPANY (US) 1992-03-24 US disclosed