SCHEMBL7644075

SCHEMBL7644075

CC(N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O)=C1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ MAG P20916 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ GSTP1 P09211 2/20 0.31
▸ HPD P32754 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ SIRT1 Q96EB6 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 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
SCHEMBL5308210 0.86 L3MBTL1 (0.54) L3MBTL1MAGPOLBALDH1A1TMEM97
SCHEMBL1836110 0.86 L3MBTL1 (0.54) L3MBTL1MAGPOLBALDH1A1TMEM97
SCHEMBL7638542 0.85 L3MBTL1 (0.57) L3MBTL1NPSR1OPRM1OPRD1LMNA
SCHEMBL15012280 0.84 L3MBTL1 (0.46) L3MBTL1ALDH1A1GAATSHR
SCHEMBL10832365 0.83 L3MBTL1 (0.45) L3MBTL1MAGALDH1A1GSTP1TMEM97
SCHEMBL16146024 0.82 L3MBTL1 (0.45) L3MBTL1MAGALDH1A1TMEM97SIGMAR1
SCHEMBL11269209 0.81 L3MBTL1 (0.44) L3MBTL1MAG
SCHEMBL7645050 0.81 SLC6A2 (0.43) MAGPOLB
SCHEMBL7645057 0.81 SLC6A2 (0.43) MAGPOLB
SCHEMBL10832391 0.80 L3MBTL1 (0.41) L3MBTL1MAGIDO1TMEM97SIGMAR1

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
US-6462183-B1 SOLID PHASE OLIGOSACCHARIDE SYNTHESIS ALCHEMIA PTY LTD (AU) 2002-10-08 — — US claimed
US-6462183-B1 SOLID PHASE OLIGOSACCHARIDE SYNTHESIS ALCHEMIA PTY LTD (AU) 2002-10-08 — — US disclosed
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