SCHEMBL5222301

SCHEMBL5222301

O=C(O)c1cc(C2CCCC2)cc(N2CCCCS2(O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KMO O15229 1/20 0.43
CREBBP Q92793 3/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACMSD Q8TDX5 2/20 0.34
EGLN1 Q9GZT9 4/20 0.33
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
P2RY14 Q15391 1/20 0.30
BACE1 P56817 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
SCHEMBL5224062 0.96 KMO (0.43) POLBKMOCREBBPKMT2AMEN1
SCHEMBL5222292 0.87 POLB (0.59) POLBKMOCREBBPBACE1BACE2
SCHEMBL5223389 0.85 ALDH1A1 (0.38) POLBKMOALDH1A1KDM4EGAA
SCHEMBL5224068 0.83 POLB (0.53) POLBKMOCREBBPBACE1BACE2
SCHEMBL5216487 0.81 ALDH1A1 (0.39) KMOKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5221126 0.75 GAA (0.37) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5220103 0.74 BACE1 (0.52) BACE1BACE2
SCHEMBL5220089 0.74 BACE1 (0.52) BACE1BACE2
SCHEMBL5259082 0.74 ACMSD (0.40) POLBKMOACMSD
SCHEMBL30912307 0.73 KMO (0.70) POLBKMOCREBBPKMT2AMEN1

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-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed