SCHEMBL7704161

SCHEMBL7704161

C=CCOc1c(CCOC(C)=NOC)c(=O)oc2c(C)c(O[C@@H]3OC(C)(C)[C@H](OC)[C@H](O)[C@H]3O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 8/20 0.48
HSP90AA1 P07900 7/20 0.48
MAP1LC3B Q9GZQ8 2/20 0.39
MAP1LC3A Q9H492 2/20 0.39
POLQ O75417 1/20 0.39
ALB P02768 1/20 0.39
KDR P35968 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7706745 0.87 HSP90AB1 (0.48) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL6866197 0.86 HSP90AB1 (0.52) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL6866195 0.86 HSP90AB1 (0.52) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL6867022 0.82 HSP90AB1 (0.51) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL6867028 0.82 HSP90AB1 (0.51) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL6867347 0.82 HSP90AB1 (0.49) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL6867344 0.82 HSP90AB1 (0.49) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL7709574 0.81 HSP90AB1 (0.48) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL6870181 0.81 HSP90AB1 (0.49) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL6867185 0.77 KDM4E (0.51) 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
US-6350733-B1 4-HYDROXYBENZOPYRAN-2-ONE DERIVATIVES; BACTERICIDES FOR STAPHYLOCOCCUS INFECTIONS; SKIN DISORDERS AVENTIS PHARMA S.A. (FR) 2002-02-26 US disclosed