SCHEMBL5525965

SCHEMBL5525965

CN(C)[C@@H](CO)C(O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
AOC3 Q16853 8/20 0.58
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GAA P10253 1/20 0.47
ADRA2C P18825 2/20 0.45
ADRA2A P08913 1/20 0.45
LMNA P02545 1/20 0.45
HIF1A Q16665 1/20 0.45
CHRM2 P08172 1/20 0.42
ADRA1A P35348 1/20 0.42
RGS12 O14924 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL3252189 1.00 KDM4E (0.62) KDM4EALDH1A1AOC3SLC6A2SLC6A4
SCHEMBL3244542 1.00 KDM4E (0.62) KDM4EALDH1A1AOC3SLC6A2SLC6A4
SCHEMBL5109281 1.00 KDM4E (0.62) KDM4EALDH1A1AOC3SLC6A2SLC6A4
SCHEMBL3251773 1.00 KDM4E (0.62) KDM4EALDH1A1AOC3SLC6A2SLC6A4
SCHEMBL6577786 0.84 AOC3 (0.73) KDM4EALDH1A1AOC3SLC6A2SLC6A4
SCHEMBL15743820 0.84 AOC3 (0.73) KDM4EALDH1A1AOC3SLC6A2SLC6A4
SCHEMBL864654 0.81 AOC3 (0.42) KDM4EALDH1A1AOC3SLC6A2SLC6A4
SCHEMBL6575401 0.81 AOC3 (0.54) KDM4EALDH1A1AOC3SLC6A2SLC6A4
SCHEMBL14003539 0.81 AOC3 (0.42) KDM4EALDH1A1AOC3SLC6A2SLC6A4
SCHEMBL3246862 0.78 SLC6A4 (0.44) KDM4EALDH1A1AOC3SLC6A2SLC6A4

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