SCHEMBL9737799

SCHEMBL9737799

C=CCC(O)C(=O)c1ccc(OCCCCCC[S+](C)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
GAA P10253 2/20 0.43
LSS P48449 9/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G4B P0C869 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL9739233 0.83 HTT (0.48) HTTGAALSSL3MBTL1ALDH1A1
SCHEMBL9733196 0.80 GAA (0.43) HTTGAALSSL3MBTL1ALDH1A1
SCHEMBL24404988 0.68 L3MBTL1 (0.46) HTTGAALSSL3MBTL1ALDH1A1
SCHEMBL9152612 0.67 HTT (0.64) HTTL3MBTL1ALDH1A1PLA2G4BTP53
SCHEMBL9147535 0.67 MAPT (0.59) HTTGAALSSL3MBTL1ALDH1A1
SCHEMBL2405032 0.66 CYP2C19 (0.50) HTTL3MBTL1ALDH1A1LMNA
SCHEMBL10984865 0.66 TP53 (0.69) GAAPLA2G4BTP53TSHR
SCHEMBL11137907 0.65 TDP1 (0.57) L3MBTL1ALDH1A1TP53LMNA
SCHEMBL9152817 0.65 HTT (0.61) HTTL3MBTL1ALDH1A1PLA2G4BTP53
SCHEMBL13754154 0.65 TP53 (0.55) L3MBTL1ALDH1A1PLA2G4BTP53TSHR

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