SCHEMBL3024504

SCHEMBL3024504

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.45
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LGALS9 O00182 1/20 0.42
LGALS1 P09382 1/20 0.42
LGALS3 P17931 1/20 0.42
LGALS7; LGALS7B P47929 1/20 0.42
PTPN1 P18031 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
HIF1A Q16665 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL30708946 1.00 ALDH1A1 (0.46) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL2932044 0.80 MAPT (0.47) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL18516026 0.79 ALDH1A1 (0.45) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL26804647 0.79 MAPT (0.49) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL23898235 0.78 MAPT (0.51) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL10425581 0.77 MAPT (0.55) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL28604390 0.77 MAPT (0.57) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL1824001 0.77 MAPT (0.47) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL29097448 0.77 MAPT (0.47) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL1824002 0.77 MAPT (0.47) ALDH1A1MAPTPOLBKMT2AMEN1

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-20100196273-A1 NOVEL AGENT FOR IN VIVO PET IMAGING OF TUMOR PROLIFERATION BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2010-08-05 US disclosed