SCHEMBL9739233

SCHEMBL9739233

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LSS P48449 7/20 0.46
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
PLA2G4B P0C869 2/20 0.41
PPARA Q07869 1/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9733196 0.84 GAA (0.43) HTTL3MBTL1ALDH1A1LSSGAA
SCHEMBL9737799 0.83 HTT (0.43) HTTL3MBTL1ALDH1A1LSSGAA
SCHEMBL9733516 0.77 L3MBTL1 (0.47) HTTL3MBTL1GAATP53TSHR
SCHEMBL1334865 0.74 GAA (0.61) L3MBTL1LSSGAATP53TSHR
SCHEMBL16414705 0.74 GAA (0.61) L3MBTL1LSSGAATP53TSHR
SCHEMBL9772848 0.73 CHRNB2 (0.51) HTTL3MBTL1ALDH1A1GAA
SCHEMBL5477923 0.73 TP53 (0.72) HTTL3MBTL1ALDH1A1GAATP53
SCHEMBL21183209 0.73 CHRNB2 (0.51) HTTL3MBTL1ALDH1A1GAA
SCHEMBL9666009 0.73 TP53 (0.72) HTTL3MBTL1ALDH1A1GAATP53
SCHEMBL303109 0.73 TP53 (0.72) HTTL3MBTL1ALDH1A1GAATP53

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