SCHEMBL21363092

SCHEMBL21363092

CO[C@@H]1[C@@H](OCN)[C@@H](O)[C@H](Oc2ccc3c(O)c(NCl)c(=O)oc3c2C)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.56
HSP90AA1 P07900 3/20 0.56
MAP1LC3B Q9GZQ8 2/20 0.56
MAP1LC3A Q9H492 2/20 0.56
POLQ O75417 1/20 0.56
ALB P02768 1/20 0.56
KDR P35968 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
LMNA P02545 1/20 0.54
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL22023815 0.89 HSP90AB1 (0.68) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL22023535 0.89 HSP90AB1 (0.68) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL21363030 0.89 HSP90AB1 (0.68) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL25906467 0.81 HSP90AB1 (0.57) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL25906463 0.81 HSP90AB1 (0.57) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL24589015 0.81 HSP90AB1 (0.68) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL13644903 0.80 HSP90AB1 (0.73) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL17049899 0.80 HSP90AB1 (0.73) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL10306489 0.80 HSP90AB1 (0.73) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL21363200 0.80 HSP90AB1 (0.73) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ

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
WO-2019178119-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-09-19 WO disclosed