SCHEMBL6229692

SCHEMBL6229692

CC(C)c1cc(C(C)C)c(CC(=O)OS(N)(=O)=O)c(C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.48
MYC P01106 1/20 0.48
SOAT1 P35610 1/20 0.48
MAP2K3 P46734 1/20 0.48
FABP4 P15090 3/20 0.44
FABP3 P05413 2/20 0.44
FABP5 Q01469 1/20 0.44
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GAA P10253 1/20 0.34
ENPP3 O14638 2/20 0.32
ENPP1 P22413 2/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 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
SCHEMBL27967151 0.76 SOAT2 (0.45) SOAT2MYCSOAT1MAP2K3FABP4
SCHEMBL8618922 0.76 SOAT2 (0.58) SOAT2MYCSOAT1MAP2K3FABP4
SCHEMBL8137246 0.73 FABP3 (0.57) SOAT2MYCSOAT1MAP2K3FABP4
SCHEMBL8136292 0.72 FABP4 (0.50) SOAT2MYCSOAT1MAP2K3FABP4
SCHEMBL8879223 0.72 FABP4 (0.48) SOAT2MYCSOAT1MAP2K3FABP4
SCHEMBL7207609 0.72 SOAT2 (0.45) SOAT2MYCSOAT1MAP2K3FABP4
SCHEMBL7574177 0.71 SOAT2 (0.49) SOAT2MYCSOAT1MAP2K3FABP4
SCHEMBL2779847 0.71 SOAT2 (0.62) SOAT2MYCSOAT1MAP2K3FABP4
SCHEMBL7207662 0.70 FABP4 (0.58) SOAT2MYCSOAT1MAP2K3FABP4
SCHEMBL9078229 0.70 SOAT2 (0.48) SOAT2MYCSOAT1MAP2K3FABP4

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
EP-1584333-A2 Use of acetylcoenzime A inhibitors for treating Alzheimer's disease Warner-Lambert Company LLC (US) 2005-10-12 EP claimed
WO-1997044314-A1 N-ACYL SULFAMIC ACID ESTERS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1997-11-27 WO disclosed