SCHEMBL5224062

SCHEMBL5224062

O=C(O)c1cc(C2CCCC2)cc(N2CCCS2(O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.43
POLB P06746 2/20 0.39
CREBBP Q92793 3/20 0.37
ACMSD Q8TDX5 2/20 0.35
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 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
EGLN1 Q9GZT9 5/20 0.31
P2RY14 Q15391 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL5222301 0.96 POLB (0.43) KMOPOLBCREBBPACMSDKMT2A
SCHEMBL5224068 0.87 POLB (0.53) KMOPOLBCREBBP
SCHEMBL5216487 0.85 ALDH1A1 (0.39) KMOKMT2AALDH1A1MEN1KDM4E
SCHEMBL5222292 0.83 POLB (0.59) KMOPOLBCREBBP
SCHEMBL5223389 0.82 ALDH1A1 (0.38) KMOPOLBALDH1A1KDM4EHPGD
SCHEMBL30912307 0.74 KMO (0.70) KMOPOLBCREBBPACMSDKMT2A
SCHEMBL27893460 0.74 KMO (0.65) KMOPOLBCREBBPACMSDKMT2A
SCHEMBL5218376 0.74 GAA (0.38) POLBKMT2AALDH1A1MEN1KDM4E
SCHEMBL5220758 0.74 BACE1 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5220753 0.74 BACE1 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19

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