SCHEMBL9853793

SCHEMBL9853793

O=C(O[C@H]1[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@H]1O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 1/20 0.56
LGALS1 P09382 1/20 0.56
LGALS3 P17931 1/20 0.56
LGALS7; LGALS7B P47929 1/20 0.56
LMNA P02545 2/20 0.54
F2 P00734 1/20 0.54
TSHR P16473 3/20 0.50
CHRNA7 P36544 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
TP53 P04637 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 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
SCHEMBL9457381 0.96 LGALS9 (0.54) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL9413961 0.96 LGALS9 (0.54) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL3857519 0.94 LGALS9 (0.55) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL14215444 0.94 LGALS9 (0.55) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL1150199 0.94 LMNA (0.52) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL3856644 0.94 LGALS9 (0.55) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL12858819 0.94 LMNA (0.52) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL9767708 0.94 LGALS9 (0.55) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL9462783 0.94 LGALS9 (0.55) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL4963754 0.89 LMNA (0.52) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA

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
EP-0431197-A1 MYOINOSITOL DERIVATIVE AND METHOD OF PRODUCTION THEREOF, AND PHOSPHORYLATING AGENT AND ITS USE MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-06-12 EP disclosed