SCHEMBL7793422

SCHEMBL7793422

CO[C@@H]1[C@H](O)[C@@H](O)[C@H](c2ccc3c(OCc4ccccc4)c(C(=O)O)c(=O)oc3c2C)O[C@]1(C)CO

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNA2 P16389 1/20 0.34
KCNA5 P22460 1/20 0.34
KCNA1 Q09470 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
KCNA3 P22001 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
SLC26A3 P40879 2/20 0.33
ACHE P22303 1/20 0.32
MAOB P27338 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
SCHEMBL7784152 0.86 LMNA (0.35) KDM4EHSP90AA1HSP90AB1
SCHEMBL6940374 0.81 HSP90AB1 (0.52) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL6940375 0.81 HSP90AB1 (0.52) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL7608589 0.81 LMNA (0.36) KDM4EHSP90AA1HSP90AB1
SCHEMBL6942331 0.80 LMNA (0.37) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL7612818 0.78 ALDH1A1 (0.43) KDM4EALDH1A1HSP90AA1HSP90AB1MAOB
SCHEMBL7784154 0.78 HSP90AA1 (0.34) KDM4EALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL7784140 0.77 LMNA (0.33) HSP90AA1HSP90AB1
SCHEMBL7190079 0.77 MAP1LC3B (0.39) HSP90AA1HSP90AB1
SCHEMBL7794162 0.76 TP53 (0.36) HSP90AA1HSP90AB1

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