SCHEMBL6412422

SCHEMBL6412422

CNC(=O)c1cccc(O)c1Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.46
GAA P10253 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
CXCR2 P25025 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MPO P05164 1/20 0.40
HIF1A Q16665 1/20 0.40
SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL6937301 0.82 ALDH1A1 (0.55) KDM4EHPGDLMNAHSD17B10MEN1
SCHEMBL11750773 0.77 SIRT1 (0.61) PLK1GAAL3MBTL1SLC6A2SLC6A4
SCHEMBL1799299 0.75 KDM4E (0.65) PLK1GAAKDM4EHPGDLMNA
SCHEMBL2865709 0.75 ALDH1A1 (0.43) L3MBTL1KDM4EHPGDLMNAHSD17B10
SCHEMBL7074216 0.73 LMNA (0.45) GAAKDM4EHPGDLMNAHSD17B10
SCHEMBL18667035 0.73 GAA (0.50) PLK1GAAPTGDR2KDM4EHPGD
SCHEMBL3365582 0.72 TERT (0.59) PLK1GAACXCR2KDM4EHPGD
SCHEMBL23018506 0.72 GAA (0.53) PLK1GAAPTGDR2SLC6A2SLC6A4
SCHEMBL2344909 0.71 GAA (0.71) PLK1GAASLC6A2SLC6A4SLC6A3
SCHEMBL14164188 0.71 PLK1 (0.52) PLK1GAACXCR2KDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050196819-A1 Methods and compositions to lower plasma cholesterol levels ATHEROGENICS PHARMACEUTICALS, INC. 2005-09-08 US disclosed
US-6887712-B1 Methods and compositions to lower plasma cholesterol levels ATHEROGENICS, INC. (US) 2005-05-03 US disclosed