SCHEMBL7793432

SCHEMBL7793432

C=CCOc1c(C(C)=NOCCBr)c(=O)oc2c(C)c([C@@H]3O[C@](C)(CO)[C@H](OC)[C@H](O)[C@H]3O)ccc12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 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
SCHEMBL7784154 0.92 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL7792730 0.88 LMNA (0.32) HSP90AA1HSP90AB1
SCHEMBL6867347 0.82 HSP90AB1 (0.49) HSP90AA1HSP90AB1
SCHEMBL6867344 0.82 HSP90AB1 (0.49) HSP90AA1HSP90AB1
SCHEMBL7793409 0.82 HSP90AA1 (0.33) HSP90AA1HSP90AB1
SCHEMBL7605603 0.79 LMNA (0.33) HSP90AA1HSP90AB1
SCHEMBL7784158 0.77 ALDH1A1 (0.45) HSP90AA1HSP90AB1
SCHEMBL7792715 0.77 KMT2A (0.33)
SCHEMBL7784156 0.77 PDGFRB (0.30)
SCHEMBL6864333 0.76 ESR2 (0.41)

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