SCHEMBL6940108

SCHEMBL6940108

CC[Si](CC)(CC)O[C@H]1[C@@H](OC2CCCCO2)[C@H](Oc2ccc3c(OCc4ccccc4)c(C(=O)O)c(=O)oc3c2C)OC(C)(C)[C@@H]1OC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.36
HSP90AA1 P07900 4/20 0.36
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAP1LC3B Q9GZQ8 2/20 0.34
MAP1LC3A Q9H492 2/20 0.34
POLQ O75417 1/20 0.34
ALB P02768 1/20 0.34
KDR P35968 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL6940113 1.00 HSP90AB1 (0.36) HSP90AB1HSP90AA1LMNAKDM4EMAP1LC3B
SCHEMBL7193790 0.95 HSP90AB1 (0.36) HSP90AB1HSP90AA1LMNAKDM4EMAP1LC3B
SCHEMBL7789618 0.91 HSP90AA1 (0.41) HSP90AB1HSP90AA1LMNAKDM4EMAP1LC3B
SCHEMBL7789617 0.91 HSP90AA1 (0.41) HSP90AB1HSP90AA1LMNAKDM4EMAP1LC3B
SCHEMBL6860054 0.88 HSP90AB1 (0.39) HSP90AB1HSP90AA1LMNAKDM4EMAP1LC3B
SCHEMBL6860056 0.88 HSP90AB1 (0.39) HSP90AB1HSP90AA1LMNAKDM4EMAP1LC3B
SCHEMBL6942257 0.87 HSP90AB1 (0.45) HSP90AB1HSP90AA1LMNAKDM4EMAP1LC3B
SCHEMBL6942254 0.87 HSP90AB1 (0.45) HSP90AB1HSP90AA1LMNAKDM4EMAP1LC3B
SCHEMBL6937692 0.84 LMNA (0.42) HSP90AB1HSP90AA1LMNAKDM4EMAP1LC3B
SCHEMBL6937333 0.84 LMNA (0.40) HSP90AB1HSP90AA1LMNAKDM4EMAP1LC3B

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-1045856-B1 NOVEL AROMATIC AMIDES, PREPARATION METHOD AND APPLICATION AS MEDICINES AVENTIS PHARMA SA (FR) 2003-04-09 EP disclosed