SCHEMBL7789607

SCHEMBL7789607

CON=Cc1c(O)c2ccc([C@@H]3O[C@](C)(CO)[C@H](OC)[C@H](O)[C@H]3O)c(C)c2oc1=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.33
HSP90AA1 P07900 2/20 0.33
MAP1LC3B Q9GZQ8 2/20 0.33
MAP1LC3A Q9H492 2/20 0.33
POLQ O75417 1/20 0.33
ALB P02768 1/20 0.33
KDR P35968 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.32
SENP7 Q9BQF6 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ESR2 Q92731 2/20 0.31
PKM P14618 1/20 0.31
NQO1 P15559 1/20 0.30

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
SCHEMBL7793409 0.86 HSP90AA1 (0.33) HSP90AB1HSP90AA1ALDH1A1HPGD
SCHEMBL7605603 0.83 LMNA (0.33) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL7784152 0.82 LMNA (0.35) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL7608589 0.82 LMNA (0.36) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL6942331 0.82 LMNA (0.37) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL7612818 0.80 ALDH1A1 (0.43) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL8381251 0.80 KDM4E (0.39) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL7701620 0.79 NQO1 (0.33) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL7784140 0.79 LMNA (0.33) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL7185197 0.78 HSP90AB1 (0.40) 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 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