SCHEMBL7700814

SCHEMBL7700814

CCCCCOS(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
PKM P14618 1/20 0.46
CETP P11597 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LTA4H P09960 1/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL7703223 0.95 ALDH1A1 (0.49) EPHX2PKMCETPSMN1; SMN2TSHR
SCHEMBL7698932 0.88 TSHR (0.41) EPHX2PKMCETPSMN1; SMN2TSHR
SCHEMBL776935 0.82 TSHR (0.52) EPHX2TSHRMAPK1ALDH1A1TDP1
SCHEMBL4342737 0.80 TSHR (0.43) EPHX2SMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL776945 0.78 EPHX2 (0.42) EPHX2TSHRMAPK1
SCHEMBL775867 0.77 IDO1 (0.48) SMN1; SMN2MAPK1LMNA
SCHEMBL27404268 0.75 LTA4H (0.47) EPHX2PKMSMN1; SMN2TSHRCYP3A4
SCHEMBL778726 0.75 EPHX2 (0.46) EPHX2TSHRMAPK1
SCHEMBL4304767 0.75 EPHX2 (0.46) EPHX2TSHRMAPK1
SCHEMBL9129611 0.75 EPHX2 (0.46) EPHX2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403256-B1 Alkali metal electrochemical cell activated with a nonaqueous electrolyte having a sulfite additive WILSON GREATBATCH LTD. 2002-06-11 US claimed
US-6350542-B1 Sulfite additives for nonaqueous electrolyte rechargeable cells WILSON GREATBATCH LTD. 2002-02-26 US claimed
EP-1022799-A2 Sulfite additives for non-aqueous electrolyte rechargeable cells Wilson Greatbatch Limited (US) 2000-07-26 EP claimed
US-6403256-B1 Alkali metal electrochemical cell activated with a nonaqueous electrolyte having a sulfite additive WILSON GREATBATCH LTD. 2002-06-11 US disclosed
US-6350542-B1 Sulfite additives for nonaqueous electrolyte rechargeable cells WILSON GREATBATCH LTD. 2002-02-26 US disclosed
EP-1022799-A2 Sulfite additives for non-aqueous electrolyte rechargeable cells Wilson Greatbatch Limited (US) 2000-07-26 EP disclosed