SCHEMBL7701620

SCHEMBL7701620

CON=C(C)OCCc1c(O)c2ccc([C@@H]3O[C@](C)(CO)[C@H](OC)[C@H](O)[C@H]3O)c(C)c2oc1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.33
MAP1LC3B Q9GZQ8 2/20 0.31
MAP1LC3A Q9H492 2/20 0.31
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 2/20 0.31
POLQ O75417 1/20 0.31
ALB P02768 1/20 0.31
KDR P35968 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
LMNA P02545 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
SCHEMBL7605603 0.84 LMNA (0.33) NQO1MAP1LC3BMAP1LC3AHSP90AA1HSP90AB1
SCHEMBL7706745 0.81 HSP90AB1 (0.48) MAP1LC3BMAP1LC3AHSP90AA1HSP90AB1POLQ
SCHEMBL7608589 0.80 LMNA (0.36) NQO1MAP1LC3BMAP1LC3AHSP90AA1HSP90AB1
SCHEMBL7789607 0.79 HSP90AB1 (0.33) NQO1MAP1LC3BMAP1LC3AHSP90AA1HSP90AB1
SCHEMBL7792730 0.79 LMNA (0.32) MAP1LC3BMAP1LC3AHSP90AA1HSP90AB1POLQ
SCHEMBL7784152 0.79 LMNA (0.35) NQO1MAP1LC3BMAP1LC3AHSP90AA1HSP90AB1
SCHEMBL7612818 0.78 ALDH1A1 (0.43) MAP1LC3BMAP1LC3AHSP90AA1HSP90AB1POLQ
SCHEMBL6942331 0.78 LMNA (0.37) NQO1MAP1LC3BMAP1LC3AHSP90AA1HSP90AB1
SCHEMBL8381251 0.77 KDM4E (0.39) MAP1LC3BMAP1LC3AHSP90AA1HSP90AB1POLQ
SCHEMBL7784140 0.75 LMNA (0.33) MAP1LC3BMAP1LC3AHSP90AA1HSP90AB1POLQ

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
US-6350733-B1 4-HYDROXYBENZOPYRAN-2-ONE DERIVATIVES; BACTERICIDES FOR STAPHYLOCOCCUS INFECTIONS; SKIN DISORDERS AVENTIS PHARMA S.A. (FR) 2002-02-26 US disclosed
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