SCHEMBL7743197

SCHEMBL7743197

CO[C@@H]1[C@H](O)[C@@H](O)[C@H](Oc2ccc3c(C(c4ccccc4)c4ccccc4)cc(=O)oc3c2C)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 9/20 0.47
HSP90AA1 P07900 8/20 0.47
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 3/20 0.41
MAP1LC3B Q9GZQ8 2/20 0.40
MAP1LC3A Q9H492 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
POLQ O75417 1/20 0.39
ALB P02768 1/20 0.39
KDR P35968 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6938077 0.87 HSP90AB1 (0.46) HSP90AB1HSP90AA1KDM4EKMT2AMAP1LC3B
SCHEMBL6938071 0.87 HSP90AB1 (0.46) HSP90AB1HSP90AA1KDM4EKMT2AMAP1LC3B
SCHEMBL6156108 0.81 HSP90AB1 (0.49) HSP90AB1HSP90AA1KDM4EKMT2AMAP1LC3B
SCHEMBL8444987 0.81 HSP90AB1 (0.49) HSP90AB1HSP90AA1KDM4EKMT2AMAP1LC3B
SCHEMBL6867189 0.77 KDM4E (0.51) HSP90AB1HSP90AA1KDM4EKMT2AMAP1LC3B
SCHEMBL6867185 0.77 KDM4E (0.51) HSP90AB1HSP90AA1KDM4EKMT2AMAP1LC3B
SCHEMBL7195888 0.76 MAP1LC3B (0.42) HSP90AB1HSP90AA1KDM4EMAP1LC3BMAP1LC3A
SCHEMBL6160624 0.76 HSP90AB1 (0.47) HSP90AB1HSP90AA1KDM4EKMT2AMAP1LC3B
SCHEMBL7189371 0.73 HSP90AB1 (0.62) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ
SCHEMBL7189370 0.73 HSP90AB1 (0.62) HSP90AB1HSP90AA1MAP1LC3BMAP1LC3APOLQ

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
US-6420538-B1 COMPOUND FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS AVENTIS PHARMA S.A. (FR) 2002-07-16 US disclosed