SCHEMBL4963754

SCHEMBL4963754

O=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
F2 P00734 1/20 0.52
LGALS9 O00182 1/20 0.51
LGALS1 P09382 1/20 0.51
LGALS3 P17931 1/20 0.51
LGALS7; LGALS7B P47929 1/20 0.51
TSHR P16473 2/20 0.48
CHRNA7 P36544 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 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
SCHEMBL12292246 1.00 LMNA (0.52) LMNAF2LGALS9LGALS1LGALS3
SCHEMBL4963759 1.00 LMNA (0.52) LMNAF2LGALS9LGALS1LGALS3
SCHEMBL12327664 1.00 LMNA (0.52) LMNAF2LGALS9LGALS1LGALS3
SCHEMBL9462783 0.96 LGALS9 (0.55) LMNAF2LGALS9LGALS1LGALS3
SCHEMBL3856644 0.96 LGALS9 (0.55) LMNAF2LGALS9LGALS1LGALS3
SCHEMBL3857519 0.96 LGALS9 (0.55) LMNAF2LGALS9LGALS1LGALS3
SCHEMBL9767708 0.96 LGALS9 (0.55) LMNAF2LGALS9LGALS1LGALS3
SCHEMBL14215444 0.96 LGALS9 (0.55) LMNAF2LGALS9LGALS1LGALS3
SCHEMBL9413961 0.94 LGALS9 (0.54) LMNAF2LGALS9LGALS1LGALS3
SCHEMBL12858819 0.92 LMNA (0.52) LMNAF2LGALS9LGALS1LGALS3

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-20080119373-A1 Receptor Specific Binder Discovery Using Intramolecular Acyl Migration Induced Dynamic Carbohydrate Library NEW YORK UNIVERSITY (US) 2008-05-22 US disclosed
WO-2005033149-A1 RECEPTOR SPECIFIC BINDER DISCOVERY USING INTRAMOLECULAR ACYL MIGRATION INDUCED DYNAMIC CARBOHYDRATE LIBRARY NEW YORK UNIVERSITY (US) 2005-04-14 WO disclosed