SCHEMBL7698932

SCHEMBL7698932

CCCOS(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 2/20 0.39
PKM P14618 1/20 0.39
CETP P11597 3/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.38
TP53 P04637 1/20 0.37
AGXT P21549 1/20 0.36

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 0.89 ALDH1A1 (0.49) TSHRALDH1A1SMN1; SMN2CYP3A4MAPK1
SCHEMBL7700814 0.88 EPHX2 (0.46) TSHRALDH1A1SMN1; SMN2CYP3A4MAPK1
SCHEMBL776935 0.86 TSHR (0.52) TSHRALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL4342737 0.85 TSHR (0.43) TSHRALDH1A1SMN1; SMN2MAPK1TDP1
SCHEMBL4344980 0.79 TSHR (0.44) TSHRALDH1A1SMN1; SMN2MAPK1TDP1
SCHEMBL27748560 0.76 LTA4H (0.40) ALDH1A1SMN1; SMN2L3MBTL1PKMLMNA
SCHEMBL11838410 0.76 SMN1; SMN2 (0.46) TSHRALDH1A1SMN1; SMN2CYP3A4MAPK1
SCHEMBL10692407 0.75 TSHR (0.44) TSHRALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL186293 0.74 CYP2C19 (0.41)
SCHEMBL8158322 0.74 CA1 (0.48) TSHRALDH1A1SMN1; SMN2CYP3A4MAPK1

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