SCHEMBL10182003

SCHEMBL10182003

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PTPN1 P18031 2/20 0.39
GAPDH P04406 1/20 0.38
LGALS9 O00182 1/20 0.37
LGALS1 P09382 1/20 0.37
LGALS3 P17931 1/20 0.37
LGALS7; LGALS7B P47929 1/20 0.37
ABCB1 P08183 2/20 0.37
NPC1 O15118 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
SCHEMBL7746169 0.85 MAPT (0.53) MAPTPOLBMEN1USP2KMT2A
SCHEMBL308252 0.85 MAPT (0.53) MAPTPOLBMEN1USP2KMT2A
SCHEMBL27514476 0.85 MAPT (0.53) MAPTPOLBMEN1USP2KMT2A
SCHEMBL11075412 0.85 MAPT (0.53) MAPTPOLBMEN1USP2KMT2A
SCHEMBL308251 0.85 MAPT (0.53) MAPTPOLBMEN1USP2KMT2A
SCHEMBL19460953 0.83 MAPT (0.52) MAPTPOLBMEN1USP2KMT2A
SCHEMBL19460954 0.83 MAPT (0.52) MAPTPOLBMEN1USP2KMT2A
SCHEMBL4960765 0.83 MAPT (0.52) MAPTPOLBMEN1USP2KMT2A
SCHEMBL652994 0.83 MAPT (0.52) MAPTPOLBMEN1USP2KMT2A
SCHEMBL4962623 0.83 MAPT (0.52) MAPTPOLBMEN1USP2KMT2A

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
WO-2012093091-A2 NEW SACCHARIDE MIMICS AND THEIR USE AS INHIBITORS OF ANGIOGENESIS AND METASTASIS FORMATION DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2012-07-12 WO disclosed
EP-2474552-A1 New saccharide mimics and their use as inhibitors of angiogenesis and metastasis formation Deutsches Krebsforschungszentrum (DE) 2012-07-11 EP disclosed