SCHEMBL28126118

SCHEMBL28126118

O=COC(=O)c1cccc(C(F)(F)F)c1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
CTSS P25774 5/20 0.36
KAT6A Q92794 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSK P43235 1/20 0.34
MAOB P27338 1/20 0.33
SLC9A1 P19634 1/20 0.33
TAS2R14 Q9NYV8 2/20 0.33
NFKB1 P19838 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL577102 0.85 LMNA (0.40) LMNAGAAKAT6AMEN1ALDH1A1
SCHEMBL577104 0.78 KCNK3 (0.41) LMNAGAAKAT6AMEN1ALDH1A1
SCHEMBL795355 0.78 MEN1 (0.41) LMNAGAAKAT6AMEN1ALDH1A1
SCHEMBL28294194 0.77 SLC22A12 (0.35) KAT6AMEN1ALDH1A1KMT2AMAOB
SCHEMBL28229627 0.70 CA1 (0.45) LMNAGAAMEN1ALDH1A1KMT2A
SCHEMBL3197747 0.70 SLC22A12 (0.42) KAT6AMEN1KMT2ASLC9A1
SCHEMBL7029819 0.70 CA1 (0.53) LMNAGAAALDH1A1KMT2ATAS2R14
SCHEMBL7027862 0.70 CA1 (0.42) LMNAGAACTSSKAT6AALDH1A1
SCHEMBL28918924 0.68 MCL1 (0.42) MEN1KMT2ASLC9A1
SCHEMBL4306575 0.68 TTR (0.42) LMNAGAAKAT6AMEN1ALDH1A1

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
CN-106463776-A Nonaqueous electrolytic solution and secondary cell 日本电气株式会社 2017-02-22 CN disclosed