SCHEMBL5525823

SCHEMBL5525823

CSc1ccc(C(O)[C@H](CO)N(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.44
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.38
AOC3 Q16853 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL5528662 1.00 SLC6A4 (0.44) SLC6A4KDM4EALDH1A1AOC3MEN1
SCHEMBL3247019 1.00 SLC6A4 (0.44) SLC6A4KDM4EALDH1A1AOC3MEN1
SCHEMBL3252505 1.00 SLC6A4 (0.44) SLC6A4KDM4EALDH1A1AOC3MEN1
SCHEMBL3246862 1.00 SLC6A4 (0.44) SLC6A4KDM4EALDH1A1AOC3MEN1
SCHEMBL13993319 0.86 SLC6A4 (0.53) SLC6A4KDM4EALDH1A1AOC3MEN1
SCHEMBL864654 0.79 AOC3 (0.42) SLC6A4KDM4EALDH1A1AOC3SLC6A2
SCHEMBL14003539 0.79 AOC3 (0.42) SLC6A4KDM4EALDH1A1AOC3SLC6A2
SCHEMBL5109281 0.78 KDM4E (0.62) SLC6A4KDM4EALDH1A1AOC3SLC6A2
SCHEMBL3244542 0.78 KDM4E (0.62) SLC6A4KDM4EALDH1A1AOC3SLC6A2
SCHEMBL3251773 0.78 KDM4E (0.62) SLC6A4KDM4EALDH1A1AOC3SLC6A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853545-A2 PROCESS FOR OBTAINING ENANTIOMERS OF CHRYSANTHEMIC ACID ENDURA S.p.A. (IT) 2007-11-14 EP claimed
WO-2006087357-A2 PROCESS FOR OBTAINING ENANTIOMERS OF CHRYSANTHEMIC ACID ENDURA S.P.A. (IT) 2006-08-24 WO claimed
EP-1853545-A2 PROCESS FOR OBTAINING ENANTIOMERS OF CHRYSANTHEMIC ACID ENDURA S.p.A. (IT) 2007-11-14 EP disclosed
WO-2006087357-A2 PROCESS FOR OBTAINING ENANTIOMERS OF CHRYSANTHEMIC ACID ENDURA S.P.A. (IT) 2006-08-24 WO disclosed