SCHEMBL10575985

SCHEMBL10575985

CC1(C)O[C@@H]2[C@H](O1)[C@@H](OCc1ccccc1)O[C@@H]2[C@H](N)CO

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
IDO1 P14902 1/20 0.34
BCHE P06276 3/20 0.34
PDE4D Q08499 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDPK1 O15530 1/20 0.33
MTOR P42345 1/20 0.33
GSTP1 P09211 2/20 0.32
PTPN1 P18031 1/20 0.32
CDC25B P30305 1/20 0.32
GYPA P02724 1/20 0.32

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
SCHEMBL21243724 0.88 MEN1 (0.48) MEN1KMT2AIDO1BCHEALDH1A1
SCHEMBL10573975 0.88 MEN1 (0.48) MEN1KMT2AIDO1BCHEALDH1A1
SCHEMBL10586008 0.83 CYP3A4 (0.31) IDO1
SCHEMBL26094036 0.82 MEN1 (0.55) MEN1KMT2AIDO1ALDH1A1CYP1A2
SCHEMBL6704224 0.80 SLC6A2 (0.41) PDE4DALDH1A1CYP2C19GYPA
SCHEMBL6864596 0.80 SLC6A2 (0.41) PDE4DALDH1A1CYP2C19GYPA
SCHEMBL7156144 0.80 SLC6A2 (0.41) PDE4DALDH1A1CYP2C19GYPA
SCHEMBL6701050 0.80 SLC6A2 (0.41) PDE4DALDH1A1CYP2C19GYPA
SCHEMBL7066247 0.78 SLC6A2 (0.39) MEN1KMT2APDE4DALDH1A1CYP2C19
SCHEMBL7037202 0.77 GSTP1 (0.39) MEN1KMT2AIDO1ALDH1A1SLC1A3

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-4861892-A Method for synthesis of deoxymannojirimycin G. D. SEARLE & CO. (US) 1989-08-29 US disclosed
EP-0328508-A2 Method for synthesis of deoxymannojirimycin The NutraSweet Company (US) 1989-08-16 EP disclosed