SCHEMBL8517535

SCHEMBL8517535

CO[C@@H]1[C@@H](OC(=O)Nc2cc(C)on2)[C@@H](O)[C@H](Oc2ccc3c(O)c(C(=O)O)c(=O)oc3c2C)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
HSP90AB1 P08238 4/20 0.53
HSP90AA1 P07900 3/20 0.53
MAP1LC3B Q9GZQ8 2/20 0.53
MAP1LC3A Q9H492 2/20 0.53
POLQ O75417 1/20 0.53
ALB P02768 1/20 0.53
KDR P35968 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL8517536 1.00 LMNA (0.55) LMNAHSP90AB1HSP90AA1MAP1LC3BMAP1LC3A
SCHEMBL6870451 0.93 LMNA (0.54) LMNAHSP90AB1HSP90AA1MAP1LC3BMAP1LC3A
SCHEMBL6870457 0.93 LMNA (0.54) LMNAHSP90AB1HSP90AA1MAP1LC3BMAP1LC3A
SCHEMBL7784151 0.82 LMNA (0.39) LMNAHSP90AB1HSP90AA1MAP1LC3BMAP1LC3A
SCHEMBL6867191 0.79 MAP1LC3B (0.53) LMNAHSP90AB1HSP90AA1MAP1LC3BMAP1LC3A
SCHEMBL6867193 0.79 MAP1LC3B (0.53) LMNAHSP90AB1HSP90AA1MAP1LC3BMAP1LC3A
SCHEMBL6864425 0.79 HSP90AB1 (0.51) LMNAHSP90AB1HSP90AA1MAP1LC3BMAP1LC3A
SCHEMBL6864426 0.79 HSP90AB1 (0.51) LMNAHSP90AB1HSP90AA1MAP1LC3BMAP1LC3A
SCHEMBL6865632 0.79 HSP90AB1 (0.48) LMNAHSP90AB1HSP90AA1MAP1LC3BMAP1LC3A
SCHEMBL6865629 0.79 HSP90AB1 (0.48) LMNAHSP90AB1HSP90AA1MAP1LC3BMAP1LC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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