SCHEMBL5217023

SCHEMBL5217023

COC(=O)c1cc(NC(=O)CCCCl)c(OC)c(NC(=O)CCCCl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
PKM P14618 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MDH1 P40925 1/20 0.42
MDH2 P40926 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL5404138 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10HPGDPKM
SCHEMBL5224165 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10HPGDPKM
SCHEMBL5219650 0.87 HTT (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL475604 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDPKM
SCHEMBL5220585 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EHSD17B10HPGDMDH1
SCHEMBL5225589 0.77 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5222170 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDPKM
SCHEMBL5221511 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10HPGDPKM
SCHEMBL13598611 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL5221529 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10HPGDPKM

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-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed