SCHEMBL6156470

SCHEMBL6156470

CO[C@@H]1[C@H](O)[C@@H](O)[C@H](Oc2ccc3c(N4CC(C)NCC4C)cc(=O)oc3c2C)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 8/20 0.43
HSP90AA1 P07900 7/20 0.43
MAP1LC3B Q9GZQ8 2/20 0.39
MAP1LC3A Q9H492 2/20 0.39
KDM4E B2RXH2 1/20 0.38
POLQ O75417 1/20 0.38
ALB P02768 1/20 0.38
KDR P35968 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
KMT2A Q03164 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
SCHEMBL6156465 1.00 HSP90AB1 (0.43) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3AKDM4E
SCHEMBL8444987 0.76 HSP90AB1 (0.49) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3AKDM4E
SCHEMBL6156108 0.76 HSP90AB1 (0.49) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3AKDM4E
SCHEMBL6157755 0.75 HSP90AA1 (0.42) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3AKDM4E
SCHEMBL6867189 0.74 KDM4E (0.51) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3AKDM4E
SCHEMBL6867185 0.74 KDM4E (0.51) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3AKDM4E
SCHEMBL6938077 0.74 HSP90AB1 (0.46) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3AKDM4E
SCHEMBL6938071 0.74 HSP90AB1 (0.46) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3AKDM4E
SCHEMBL6160624 0.73 HSP90AB1 (0.47) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3AKDM4E
SCHEMBL7743197 0.73 HSP90AB1 (0.47) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3AKDM4E

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
EP-0894805-B1 Ribose substituted aromatic derivatives, their preparation and use as medicaments AVENTIS PHARMA SA (FR) 2005-02-09 EP disclosed
EP-0894805-A1 Ribose substituted aromatic derivatives, their preparation and use as medicaments HOECHST MARION ROUSSEL (FR) 1999-02-03 EP disclosed