SCHEMBL13620870

SCHEMBL13620870

COC1OC(C)(C)[C@H](OC)C(OC(N)=O)C1O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.39
HSP90AB1 P08238 4/20 0.39
MAP1LC3B Q9GZQ8 2/20 0.36
MAP1LC3A Q9H492 2/20 0.36
POLQ O75417 1/20 0.36
ALB P02768 1/20 0.36
KDR P35968 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LGALS8 O00214 2/20 0.33
METAP2 P50579 1/20 0.32

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
SCHEMBL10306468 1.00 HSP90AA1 (0.39) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL13609342 1.00 HSP90AA1 (0.39) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL10259547 1.00 HSP90AA1 (0.39) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL7885428 1.00 HSP90AA1 (0.39) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL10260098 0.89 HSP90AA1 (0.36) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL10306466 0.89 HSP90AA1 (0.36) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL13609344 0.89 HSP90AA1 (0.36) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL13620869 0.89 HSP90AA1 (0.36) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL7882575 0.89 HSP90AA1 (0.36) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL6931164 0.86 LGALS8 (0.32) HSP90AA1HSP90AB1LGALS8METAP2

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