SCHEMBL14837217

SCHEMBL14837217

O=S(=O)(CCS(=O)(=O)OC1CC2CCC1C2)OC1CC2CCC1C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
CYP19A1 P11511 1/20 0.36
SCN9A Q15858 5/20 0.33
BRS3 P32247 2/20 0.32
POLB P06746 1/20 0.32
GRM1 Q13255 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31

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
SCHEMBL14837086 0.88 ATM (0.39) ATMCYP19A1SCN9ABRS3POLB
SCHEMBL14778092 0.86 ATM (0.38) ATMCYP19A1SCN9ABRS3GRM1
SCHEMBL14779292 0.82 ATM (0.40) ATMCYP19A1SCN9ABRS3GRM1
SCHEMBL3257974 0.76 ATM (0.39) ATMCYP19A1SCN9ABRS3CYP1A2
SCHEMBL23143082 0.73 ATM (0.44) ATMCYP19A1SCN9APOLBGRM1
SCHEMBL3070462 0.72 ATM (0.38) ATMCYP19A1PDE4APDE4BPDE4C
SCHEMBL700295 0.71 BRS3 (0.36) ATMSCN9ABRS3PDE4APDE4B
SCHEMBL18232620 0.71 ATM (0.38) ATMCYP19A1SCN9APOLBGRM1
SCHEMBL22694337 0.71 ATM (0.38) ATMCYP19A1SCN9APOLBGRM1
SCHEMBL3082652 0.69 ATM (0.40) ATMCYP19A1SCN9APDE4APDE4B

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-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP disclosed
EP-2579377-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2013-04-10 EP disclosed