SCHEMBL8880943

SCHEMBL8880943

CC(C)c1cc(-c2ccc(F)cc2)c(C(=O)O)c(C(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.45
SCN9A Q15858 2/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
DHODH Q02127 2/20 0.39
PPARA Q07869 1/20 0.39
DHFR P00374 1/20 0.39
ALKBH5 Q6P6C2 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
SCHEMBL8877751 0.87 DHODH (0.42) GCGRFABP3FABP4FABP5DHODH
SCHEMBL8876825 0.86 PPARA (0.46) GCGRFABP3FABP4FABP5DHODH
SCHEMBL9870937 0.85 GCGR (0.60) GCGRSCN9ADHODH
SCHEMBL8879993 0.84 HMGCR (0.49) GCGRFABP3FABP4FABP5DHODH
SCHEMBL8878856 0.83 GCGR (0.46) GCGRFABP3FABP4FABP5
SCHEMBL8878474 0.83 HMGCR (0.48) GCGRFABP3FABP4FABP5DHODH
SCHEMBL8878154 0.80 DHODH (0.44) GCGRFABP3FABP4FABP5DHODH
SCHEMBL8949830 0.78 GCGR (0.45) GCGR
SCHEMBL8877509 0.78 MEN1 (0.49) GCGRDHODH
SCHEMBL8876808 0.78 MEN1 (0.46) FABP3FABP4FABP5DHODHPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691322-A Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-11-25 US disclosed
US-5686433-A CHOLESTEROL BIOSYNTHESIS INHIBITION E.R. SQUIBB & SONS, INC. (US) 1997-11-11 US disclosed
US-5506219-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-04-09 US disclosed
US-4997837-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-05 US disclosed
US-4906624-A 6-(((Substituted)pyridin-3-yl)alkyl)-and alkenyl)-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1990-03-06 US disclosed