SCHEMBL13621124

SCHEMBL13621124

CO[C@@H]1C(OC(N)=O)C(O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2)OC1(C)C

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.78
HSP90AB1 P08238 5/20 0.78
MAP1LC3B Q9GZQ8 2/20 0.78
MAP1LC3A Q9H492 2/20 0.78
POLQ O75417 1/20 0.78
ALB P02768 1/20 0.78
KDR P35968 1/20 0.78
ABCG2 Q9UNQ0 1/20 0.78
KDM4E B2RXH2 1/20 0.70
LMNA P02545 1/20 0.68
POLB P06746 1/20 0.62
MAPT P10636 1/20 0.62
RECQL P46063 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ELAVL1 Q15717 1/20 0.51

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
SCHEMBL13609408 1.00 HSP90AA1 (0.78) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL10306487 1.00 HSP90AA1 (0.78) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL6936704 1.00 HSP90AA1 (0.78) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL19519357 1.00 HSP90AA1 (0.78) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL10306500 1.00 HSP90AA1 (0.78) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL17049896 1.00 HSP90AA1 (0.78) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL6937254 0.94 HSP90AA1 (0.69) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
Novobiocin SCHEMBL24589148 0.88 HSP90AA1 (1.00) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
Novobiocin SCHEMBL24229298 0.88 HSP90AA1 (1.00) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
Novobiocin SCHEMBL23416512 0.88 HSP90AA1 (1.00) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ

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-7622451-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2009-11-24 US disclosed