SCHEMBL7792730

SCHEMBL7792730

CO[C@@H]1[C@H](O)[C@@H](O)[C@H](c2ccc3c(O)c(C(C)=NOCCBr)c(=O)oc3c2C)O[C@]1(C)CO

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
MAP1LC3B Q9GZQ8 2/20 0.32
MAP1LC3A Q9H492 2/20 0.32
POLQ O75417 1/20 0.32
ALB P02768 1/20 0.32
KDR P35968 1/20 0.32
ABCG2 Q9UNQ0 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
SCHEMBL7605603 0.91 LMNA (0.33) LMNAHSP90AA1HSP90AB1MAP1LC3BMAP1LC3A
SCHEMBL7792715 0.88 KMT2A (0.33)
SCHEMBL7784156 0.88 PDGFRB (0.30) KDR
SCHEMBL7793432 0.88 HSP90AA1 (0.32) HSP90AA1HSP90AB1
SCHEMBL7784133 0.87 HSD17B10 (0.30)
SCHEMBL7608589 0.86 LMNA (0.36) LMNAHSP90AA1HSP90AB1MAP1LC3BMAP1LC3A
SCHEMBL7784152 0.84 LMNA (0.35) LMNAHSP90AA1HSP90AB1MAP1LC3BMAP1LC3A
SCHEMBL6942331 0.83 LMNA (0.37) LMNAHSP90AA1HSP90AB1MAP1LC3BMAP1LC3A
SCHEMBL8381251 0.82 KDM4E (0.39) LMNAHSP90AA1HSP90AB1MAP1LC3BMAP1LC3A
SCHEMBL7612818 0.82 ALDH1A1 (0.43) LMNAHSP90AA1HSP90AB1MAP1LC3BMAP1LC3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906326-B1 NOVEL AROMATIC DERIVATIVES SUBSTITUTED BY A RIBOSE, THEIR METHOD OF PREPARATION AND APPLICATION AS MEDICINE AVENTIS PHARMA SA (FR) 2001-11-21 EP disclosed
EP-0906326-A1 NOVEL AROMATIC DERIVATIVES SUBSTITUTED BY A RIBOSE, THEIR METHOD OF PREPARATION AND APPLICATION AS MEDICINE HOECHST MARION ROUSSEL (FR) 1999-04-07 EP disclosed
WO-1997047634-A1 NOVEL AROMATIC DERIVATIVES SUBSTITUTED BY A RIBOSE, THEIR METHOD OF PREPARATION AND APPLICATION AS MEDICINE HOECHST MARION ROUSSEL (FR) 1997-12-18 WO disclosed