SCHEMBL24072018

SCHEMBL24072018

C[N+]1(CCCCS(=O)(=O)[O-])CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 4/20 0.44
LMNA P02545 5/20 0.44
TSHR P16473 3/20 0.44
APOBEC3A P31941 2/20 0.44
APOBEC3G Q9HC16 2/20 0.44
PMP22 Q01453 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BLM P54132 1/20 0.44
CTDSP1 Q9GZU7 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ALDH1A1 P00352 2/20 0.34
GMNN O75496 1/20 0.34

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
SCHEMBL5011415 0.98 BBOX1 (0.46) BBOX1LMNATSHRAPOBEC3AAPOBEC3G
SCHEMBL2396073 0.94 BBOX1 (0.46) BBOX1LMNATSHRAPOBEC3AAPOBEC3G
SCHEMBL5009177 0.92 BBOX1 (0.47) BBOX1LMNATSHRAPOBEC3AAPOBEC3G
Trifluoromethanesulfonic Acid SCHEMBL5010382 0.87 LMNA (0.38) BBOX1LMNATSHRAPOBEC3AAPOBEC3G
SCHEMBL24072021 0.86 KDM4E (0.42) BBOX1LMNATSHRAPOBEC3AAPOBEC3G
Lithium Ion SCHEMBL5010373 0.84 BBOX1 (0.41) BBOX1LMNATSHRAPOBEC3AAPOBEC3G
SCHEMBL15819766 0.81 HPGD (0.41) BBOX1LMNATSHRAPOBEC3AAPOBEC3G
Trifluoromethanesulfonic Acid SCHEMBL5012756 0.81 BBOX1 (0.39) BBOX1LMNATSHRAPOBEC3AAPOBEC3G
SCHEMBL1111598 0.80 DNM1 (0.35) BBOX1LMNATSHRAPOBEC3AAPOBEC3G
SCHEMBL29252398 0.79 BBOX1 (0.43) BBOX1LMNATSHRAPOBEC3AAPOBEC3G

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
WO-2021237664-A1 ELECTROLYTE SOLUTION, AND ELECTROCHEMICAL DEVICE AND ELECTRONIC DEVICE COMPRISING ELECTROLYTE SOLUTION 宁德新能源科技有限公司 2021-12-02 WO disclosed