SCHEMBL7656523

SCHEMBL7656523

Cc1cccc(Cl)c1NCCCNCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CXCL8 P10145 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK14 Q16539 3/20 0.34
KDM4E B2RXH2 2/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
POLB P06746 1/20 0.33
LCK P06239 1/20 0.33
CACNA1G O43497 1/20 0.32
CA2 P00918 1/20 0.32

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) PTGS2GAACYP1A2CYP2C19MAPK14
SCHEMBL7650705 0.82 GAA (0.39) PTGS2GAACXCL8MAPK14PDK1
SCHEMBL7658960 0.80 GAA (0.41) PTGS2GAAMAPK14PDK1PDK2
SCHEMBL7655759 0.78 ALDH1A1 (0.37) PTGS2GAAALDH1A1CYP1A2CYP2C19
SCHEMBL7656019 0.76 GAA (0.41) PTGS2GAACXCL8MAPK14KDM4E
SCHEMBL7658940 0.76 GAA (0.45) PTGS2GAAALDH1A1MAPK14KDM4E
SCHEMBL10391118 0.76 GAA (0.44) PTGS2GAAALDH1A1CXCL8MAPK14
SCHEMBL11662825 0.74 MAPK14 (0.51) PTGS2GAACXCL8MAPK14KDM4E
SCHEMBL16301207 0.74 SMN1; SMN2 (0.51) PTGS2GAAALDH1A1CYP1A2CYP2C19
SCHEMBL11174062 0.73 GAA (0.45) PTGS2GAAALDH1A1CXCL8MAPK14

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