SCHEMBL5220223

SCHEMBL5220223

CC(C)Oc1cc(C(=O)O)cc(N2CCCCS2(O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.40
GCK P35557 9/20 0.39
MAPT P10636 3/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 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
SCHEMBL5219867 0.88 HTT (0.43) KMT2AHTTMEN1GAAPOLB
SCHEMBL5220214 0.88 POLB (0.60) KMT2AHTTMEN1GAAPOLB
SCHEMBL5218631 0.83 POLB (0.44) KMT2AHTTMEN1POLBALDH1A1
SCHEMBL5217952 0.79 BACE1 (0.43) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL5220155 0.77 BACE1 (0.52)
SCHEMBL5220167 0.77 BACE1 (0.52)
SCHEMBL5219854 0.76 TP53 (0.48) KMT2AHTTMEN1GAAPOLB
SCHEMBL5220793 0.75 BACE1 (0.55)
SCHEMBL15668315 0.74 KDM4E (0.50) KMT2AHTTMEN1GAAPOLB
SCHEMBL6823081 0.74 BACE1 (0.43) KMT2AMEN1GAAPOLBALDH1A1

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