SCHEMBL5509409

SCHEMBL5509409

C[C@H](F)C(NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
EPHX1 P07099 2/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL21518405 0.70 KMT2A (0.39) EPHX2LMNAHTTEPHX1KMT2A
SCHEMBL30142406 0.69 KMT2A (0.41) EPHX2KMT2ASMN1; SMN2ALDH1A1CA12
SCHEMBL5079705 0.67 GRIN2D (0.43) EPHX2LMNAHTTEPHX1KMT2A
SCHEMBL5079704 0.67 GRIN2D (0.43) EPHX2LMNAHTTEPHX1KMT2A
SCHEMBL105165 0.67 GRIN2D (0.52) EPHX2LMNAHTTEPHX1KMT2A
SCHEMBL13464443 0.67 EPHX2 (0.36) EPHX2LMNAEPHX1KMT2ASMN1; SMN2
Sulfuric Acid SCHEMBL15211032 0.66 GRIN2D (0.73) EPHX2LMNAEPHX1KMT2ASMN1; SMN2
SCHEMBL8812116 0.66 SMN1; SMN2 (0.53) EPHX2LMNAHTTEPHX1KMT2A
SCHEMBL839162 0.66 SMN1; SMN2 (0.53) EPHX2LMNAHTTEPHX1KMT2A
SCHEMBL839161 0.66 SMN1; SMN2 (0.53) EPHX2LMNAHTTEPHX1KMT2A

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-1828111-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-05 EP disclosed
WO-2006059252-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-06-08 WO disclosed