SCHEMBL7789599

SCHEMBL7789599

CO[C@@H]1[C@H](O)[C@@H](O)[C@H](c2ccc3c(O)c(C(O)=Cc4ccccn4)c(=O)oc3c2C)O[C@]1(C)CO

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
POLQ O75417 1/20 0.31
ALB P02768 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
KDR P35968 1/20 0.31
MAP1LC3B Q9GZQ8 1/20 0.31
MAP1LC3A Q9H492 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL7789936 0.87
SCHEMBL7784152 0.86 LMNA (0.35) LMNAPOLQALBHSP90AA1HSP90AB1
SCHEMBL7608589 0.82 LMNA (0.36) LMNAPOLQALBHSP90AA1HSP90AB1
SCHEMBL6942331 0.82 LMNA (0.37) LMNAPOLQALBHSP90AA1HSP90AB1
SCHEMBL6860302 0.81 HSP90AB1 (0.45) LMNAPOLQALBHSP90AA1HSP90AB1
SCHEMBL6860305 0.81 HSP90AB1 (0.45) LMNAPOLQALBHSP90AA1HSP90AB1
SCHEMBL8381251 0.80 KDM4E (0.39) LMNAPOLQALBHSP90AA1HSP90AB1
SCHEMBL7612818 0.80 ALDH1A1 (0.43) LMNAPOLQALBHSP90AA1HSP90AB1
SCHEMBL7605603 0.80 LMNA (0.33) LMNAPOLQALBHSP90AA1HSP90AB1
SCHEMBL7784140 0.79 LMNA (0.33) LMNAPOLQALBHSP90AA1HSP90AB1

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