SCHEMBL9691657

SCHEMBL9691657

C=CCC1=CC2C=CC1C2.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1.[Pd+2]

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.33
KIF11 P52732 1/20 0.31
ALDH1A1 P00352 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGS2 P35354 2/20 0.30
PTGS1 P23219 1/20 0.30

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
Trifluoromethanesulfonic Acid SCHEMBL9692347 0.84
SCHEMBL10891289 0.77 LSS (0.39) LSSKIF11ALDH1A1MEN1KMT2A
SCHEMBL999684 0.75
SCHEMBL9692322 0.68 PTGS2 (0.33) LSSKIF11BCHEACHEPTGS2
SCHEMBL10892662 0.67 LSS (0.38) LSSKIF11ALDH1A1BCHEACHE
Silver SCHEMBL6115105 0.66 KIF11 (0.55) KIF11ALDH1A1BCHEACHEPTGS2
SCHEMBL15568688 0.66 KIF11 (0.55) KIF11ALDH1A1BCHEACHEPTGS2
Potassium Ion SCHEMBL28729147 0.66 KIF11 (0.55) KIF11ALDH1A1BCHEACHEPTGS2
SCHEMBL1804286 0.62 KIF11 (0.47) KIF11ALDH1A1BCHEACHEMEN1
Lithium Ion SCHEMBL16563208 0.61 KIF11 (0.50) KIF11ALDH1A1BCHEACHEPTGS2

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
EP-0153692-B1 METHOD FOR ISOMERIZATION A GLYCIDATE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed
EP-0153692-A2 Method for isomerization a glycidate derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 EP disclosed