SCHEMBL7789614

SCHEMBL7789614

CO[C@@H]1[C@H](OC(=O)Nc2nccs2)[C@@H](O)[C@H](c2ccc3c(O)c(C(=O)O)c(=O)oc3c2C)O[C@]1(C)CO

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MAP1LC3B Q9GZQ8 2/20 0.35
MAP1LC3A Q9H492 2/20 0.35
HSP90AB1 P08238 2/20 0.35
POLQ O75417 1/20 0.35
ALB P02768 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KDR P35968 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7793587 0.86 MAP1LC3B (0.38) LMNAMAP1LC3BMAP1LC3AHSP90AB1POLQ
SCHEMBL7789621 0.86 BLM (0.39) LMNAMAP1LC3BMAP1LC3AHSP90AB1POLQ
SCHEMBL7784151 0.85 LMNA (0.39) LMNAMAP1LC3BMAP1LC3AHSP90AB1POLQ
SCHEMBL7794162 0.84 TP53 (0.36) LMNAMAP1LC3BMAP1LC3AHSP90AB1POLQ
SCHEMBL7784152 0.82 LMNA (0.35) LMNAMAP1LC3BMAP1LC3AHSP90AB1POLQ
SCHEMBL6865629 0.78 HSP90AB1 (0.48) LMNAMAP1LC3BMAP1LC3AHSP90AB1POLQ
SCHEMBL6865632 0.78 HSP90AB1 (0.48) LMNAMAP1LC3BMAP1LC3AHSP90AB1POLQ
SCHEMBL7793428 0.78 HSP90AB1 (0.37) LMNAMAP1LC3BMAP1LC3AHSP90AB1POLQ
SCHEMBL7793526 0.77 HSP90AB1 (0.36) LMNAMAP1LC3BMAP1LC3AHSP90AB1POLQ
SCHEMBL7784171 0.76 LMNA (0.45) LMNAMAP1LC3BMAP1LC3AHSP90AB1POLQ

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