SCHEMBL8931476

SCHEMBL8931476

CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.79
LMNA P02545 3/20 0.76
KMT2A Q03164 1/20 0.76
ALDH1A1 P00352 3/20 0.60
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TSHR P16473 1/20 0.54
KDM4E B2RXH2 1/20 0.52
CYP2D6 P10635 2/20 0.52
MAPK1 P28482 1/20 0.52
MMP12 P39900 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
TGM2 P21980 1/20 0.47
MMP9 P14780 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL8931470 1.00 POLB (0.79) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL21097453 1.00 POLB (0.79) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL10486898 0.91 LMNA (0.72) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL17267273 0.91 LMNA (0.69) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL15919148 0.91 LMNA (0.72) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL23069301 0.91 LMNA (0.72) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL21331976 0.91 LMNA (0.69) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL21574298 0.91 LMNA (0.69) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL10486900 0.91 LMNA (0.72) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL17278377 0.91 LMNA (0.69) POLBLMNAKMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654412-A CONVERGENT SYNTHESIS VIA TWO DISACCHARIDE SUBCOMPONENTS; SIMPLIFICATION, HIGH YIELD GLYCOMED INCORPORATED (US) 1997-08-05 US disclosed