SCHEMBL7658960

SCHEMBL7658960

CNCCCNc1c(C)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
PTGS2 P35354 2/20 0.38
MAPK14 Q16539 2/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
HTR1B P28222 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
NR4A2 P43354 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LCK P06239 2/20 0.34

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
SCHEMBL7655803 0.83 MAPK14 (0.40) GAAPTGS2MAPK14PDK1PDK2
SCHEMBL7656019 0.83 GAA (0.41) GAAPTGS2MAPK14PDK1PDK2
SCHEMBL7658940 0.83 GAA (0.45) GAAPTGS2MAPK14PDK1PDK2
SCHEMBL7650705 0.82 GAA (0.39) GAAPTGS2MAPK14PDK1PDK2
SCHEMBL11662825 0.80 MAPK14 (0.51) GAAPTGS2MAPK14PDK1PDK2
SCHEMBL16301207 0.80 SMN1; SMN2 (0.51) GAAPTGS2MAPK14MEN1KMT2A
SCHEMBL7656523 0.80 PTGS2 (0.37) GAAPTGS2MAPK14PDK1PDK2
SCHEMBL5840516 0.79 MAPT (0.44) L3MBTL1MEN1KMT2A
SCHEMBL7655759 0.79 ALDH1A1 (0.37) GAAPTGS2MAPK14MEN1KMT2A
SCHEMBL7656975 0.77 GLA (0.44) MAPK14LCK

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
US-6340687-B1 ELEVATE HIGH DENSITY LIPOPROTEIN CHOLESTEROL CONCENTRATION AMERICAN HOME PRODUCTS CORPORATION 2002-01-22 US disclosed