SCHEMBL7789617

SCHEMBL7789617

CO[C@@H]1[C@@H](O)[C@@H](OC2CCCCO2)[C@H](Oc2ccc3c(OCc4ccccc4)c(C(=O)O)c(=O)oc3c2C)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.41
HSP90AB1 P08238 7/20 0.41
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAP1LC3B Q9GZQ8 2/20 0.36
MAP1LC3A Q9H492 2/20 0.36
POLQ O75417 1/20 0.36
ALB P02768 1/20 0.36
KDR P35968 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL7789618 1.00 HSP90AA1 (0.41) HSP90AA1HSP90AB1LMNAKDM4EMAP1LC3B
SCHEMBL6860056 0.94 HSP90AB1 (0.39) HSP90AA1HSP90AB1LMNAKDM4EMAP1LC3B
SCHEMBL6860054 0.94 HSP90AB1 (0.39) HSP90AA1HSP90AB1LMNAKDM4EMAP1LC3B
SCHEMBL6940113 0.91 HSP90AB1 (0.36) HSP90AA1HSP90AB1LMNAKDM4EMAP1LC3B
SCHEMBL6940108 0.91 HSP90AB1 (0.36) HSP90AA1HSP90AB1LMNAKDM4EMAP1LC3B
SCHEMBL6943889 0.87 HSP90AB1 (0.43) HSP90AA1HSP90AB1LMNAMAP1LC3BMAP1LC3A
SCHEMBL6943894 0.87 HSP90AB1 (0.43) HSP90AA1HSP90AB1LMNAMAP1LC3BMAP1LC3A
SCHEMBL7193790 0.86 HSP90AB1 (0.36) HSP90AA1HSP90AB1LMNAKDM4EMAP1LC3B
SCHEMBL6940375 0.86 HSP90AB1 (0.52) HSP90AA1HSP90AB1LMNAKDM4EMAP1LC3B
SCHEMBL6940374 0.86 HSP90AB1 (0.52) HSP90AA1HSP90AB1LMNAKDM4EMAP1LC3B

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 1 patent. 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