SCHEMBL4930970

SCHEMBL4930970

CC(=O)N[C@H]1C(OP(=O)(Cc2ccccc2)Cc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
KMT2A Q03164 1/20 0.71
POLB P06746 2/20 0.60
ALDH1A1 P00352 3/20 0.56
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MMP12 P39900 2/20 0.47
TGM2 P21980 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
CA12 O43570 3/20 0.42
MMP9 P14780 1/20 0.42
PAX8 Q06710 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
SCHEMBL7566963 1.00 LMNA (0.71) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL7565147 0.88 TSHR (0.59) LMNAKMT2APOLBALDH1A1TSHR
SCHEMBL7574353 0.88 TSHR (0.59) LMNAKMT2APOLBALDH1A1TSHR
SCHEMBL4881651 0.88 TSHR (0.59) LMNAKMT2APOLBALDH1A1TSHR
SCHEMBL7566645 0.88 TSHR (0.59) LMNAKMT2APOLBALDH1A1TSHR
SCHEMBL8935607 0.88 TSHR (0.59) LMNAKMT2APOLBALDH1A1TSHR
SCHEMBL24226132 0.87 LMNA (0.68) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL16653946 0.87 LMNA (0.68) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL24226126 0.86 LMNA (0.67) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL21097453 0.84 POLB (0.79) LMNAKMT2APOLBALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335500-B2 Production of fucosylated carbohydrates by enzymatic fucosylation synthesis of sugar nucleotides; and in situ regeneration of GDP-fucose THE SCRIPPS RESEARCH INSTITUTE (US) 2008-02-26 US disclosed
US-20020068331-A1 Production of fucosylated carbohydrates by enzymatic fucosylation synthesis of sugar nucleotides; and in situ regeneration of GDP-fucose WONG CHI-HUEY (US) 2002-06-06 US disclosed
US-6319695-B1 FORMING A GLYCOSIDE BOND BY ETHERIFICATION AND CIRCULATION THE SCRIPPS RESEARCH INSITUTE 2001-11-20 US disclosed