SCHEMBL28313554

SCHEMBL28313554

CCCCCCOc1cc(C)ccc1S(=O)(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
THRB P10828 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
S1PR3 Q99500 1/20 0.40
CYP19A1 P11511 4/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 2/20 0.38
THRA P10827 1/20 0.38
HTT P42858 1/20 0.38
PPARA Q07869 2/20 0.38
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C8 P10632 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL28654549 0.94 ALDH1A1 (0.39) MAPTTHRBALDH1A1GAANPSR1
SCHEMBL28537870 0.92 ALDH1A1 (0.40) MAPTTHRBALDH1A1GAANPSR1
SCHEMBL28536772 0.90 L3MBTL1 (0.38) MAPTALDH1A1NPSR1POLBL3MBTL1
SCHEMBL28559501 0.88 ALDH1A1 (0.41) MAPTALDH1A1NPSR1POLBL3MBTL1
SCHEMBL21815478 0.85 MEN1 (0.47) MAPTALDH1A1GAANPSR1POLB
SCHEMBL4420431 0.84 L3MBTL1 (0.42) MAPTALDH1A1NPSR1POLBL3MBTL1
SCHEMBL21219198 0.84 ALDH1A1 (0.41) MAPTALDH1A1NPSR1POLBL3MBTL1
SCHEMBL28354485 0.84 TSHR (0.39) MAPTALDH1A1GAANPSR1POLB
SCHEMBL28380826 0.84 TSHR (0.39) MAPTALDH1A1NPSR1POLBL3MBTL1
SCHEMBL27208962 0.84 MAPT (0.40) MAPTTHRBALDH1A1GAANPSR1

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
CN-110140187-B Electrolyte comprising 3,4-ethylenedioxythiophene, electrolytic capacitor comprising the same, and raw material for electronic material 株式会社东进世美肯 2021-11-26 CN disclosed
CN-110140187-A Electrolyte comprising 3, 4-ethylenedioxythiophene, electrolytic capacitor comprising the same, and raw material for electronic material 株式会社东进世美肯 2019-08-16 CN disclosed