SCHEMBL8176706

SCHEMBL8176706

CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cc(OCCCNC(=O)OC(C)(C)C)cc2C(C)C)c(C(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.58
MYC P01106 1/20 0.58
SOAT1 P35610 1/20 0.58
MAP2K3 P46734 1/20 0.58
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA12 O43570 5/20 0.43
CA9 Q16790 5/20 0.43
SUCNR1 Q9BXA5 1/20 0.36

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
SCHEMBL7568099 0.83 SOAT2 (0.67) SOAT2MYCSOAT1MAP2K3
SCHEMBL8180547 0.83 SOAT2 (0.52) SOAT2MYCSOAT1MAP2K3CA1
Hydrochloric Acid SCHEMBL7568093 0.82 SOAT2 (0.66) SOAT2MYCSOAT1MAP2K3
SCHEMBL7566056 0.82 SOAT2 (0.60) SOAT2MYCSOAT1MAP2K3
SCHEMBL7569954 0.82 SOAT2 (0.64) SOAT2MYCSOAT1MAP2K3
Hydrochloric Acid SCHEMBL7571960 0.81 SOAT2 (0.63) SOAT2MYCSOAT1MAP2K3
SCHEMBL7567765 0.79 SOAT2 (0.75) SOAT2MYCSOAT1MAP2K3
SCHEMBL7566794 0.78 SOAT2 (0.73) SOAT2MYCSOAT1MAP2K3
SCHEMBL8168466 0.77 SOAT2 (0.66) SOAT2MYCSOAT1MAP2K3
SCHEMBL7567505 0.77 SOAT2 (0.78) SOAT2MYCSOAT1MAP2K3

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-6093744-A USE AS CEREBROVASCULAR AGENTS IN DISEASES SUCH AS STROKE, PERIPHERAL VASCULAR DISEASE, RESTENOSIS, AND AS AGENTS FOR REGULATING PLASMA CHOLESTEROL CONCENTRATIONS, FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 2000-07-25 US disclosed
WO-1997044314-A1 N-ACYL SULFAMIC ACID ESTERS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1997-11-27 WO disclosed