SCHEMBL8512702

SCHEMBL8512702

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
ALDH1A1 P00352 1/20 0.46
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 0.39
LGALS1 P09382 1/20 0.39
LGALS3 P17931 1/20 0.39
LGALS7; LGALS7B P47929 1/20 0.39
NPC1 O15118 2/20 0.39
PTPN1 P18031 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL8512700 1.00 MAPT (0.55) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL11073044 1.00 MAPT (0.55) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL9137960 1.00 MAPT (0.55) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL5139788 0.96 MAPT (0.52) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL4962623 0.96 MAPT (0.52) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL4960765 0.96 MAPT (0.52) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL652994 0.96 MAPT (0.52) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL3060466 0.91 MAPT (0.47) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL28604390 0.87 MAPT (0.57) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL1824001 0.86 MAPT (0.47) MAPTALDH1A1POLBKMT2AMEN1

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-5907036-A Procedures for obtaining ribo-C-nucleosides ICN PHARMACEUTICALS, INC. (US) 1999-05-25 US disclosed
EP-0804447-A1 PROCEDURES FOR OBTAINING RIBO-C-NUCLEOSIDES ICN Pharmaceuticals, Inc. (US) 1997-11-05 EP disclosed
WO-1996026212-A1 PROCEDURES FOR OBTAINING RIBO-C-NUCLEOSIDES ICN PHARMACEUTICALS, INC. (US) 1996-08-29 WO disclosed