SCHEMBL7784154

SCHEMBL7784154

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 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
SCHEMBL7793432 0.92 HSP90AA1 (0.32) HSP90AA1HSP90AB1
SCHEMBL7605603 0.86 LMNA (0.33) HSP90AA1HSP90AB1KDM4E
SCHEMBL7793409 0.86 HSP90AA1 (0.33) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL6866195 0.81 HSP90AB1 (0.52) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL6866197 0.81 HSP90AB1 (0.52) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL7784158 0.80 ALDH1A1 (0.45) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL7792730 0.79 LMNA (0.32) HSP90AA1HSP90AB1
SCHEMBL7793422 0.78 KDM4E (0.35) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL7608589 0.78 LMNA (0.36) HSP90AA1HSP90AB1KDM4E
SCHEMBL7784152 0.76 LMNA (0.35) HSP90AA1HSP90AB1KDM4E

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