SCHEMBL8877751

SCHEMBL8877751

CC(C)c1nc(C(c2ccccc2)c2ccccc2)cc(-c2ccc(F)cc2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.42
DHFR P00374 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
GCGR P47871 1/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
PDE10A Q9Y233 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
SCHEMBL8880943 0.87 GCGR (0.45) DHODHDHFRALKBH5GCGRFABP3
SCHEMBL8879993 0.83 HMGCR (0.49) DHODHGCGRFABP3FABP4FABP5
SCHEMBL8877450 0.82 GCGR (0.50) DHODHGCGR
SCHEMBL8878730 0.81 HMGCR (0.42) GCGR
SCHEMBL8876825 0.80 PPARA (0.46) DHODHDHFRALKBH5GCGRFABP3
SCHEMBL8878416 0.79 SQOR (0.39)
SCHEMBL8878154 0.79 DHODH (0.44) DHODHDHFRALKBH5GCGRFABP3
SCHEMBL8876345 0.78 GCGR (0.41) GCGRPTGDR2
SCHEMBL8876808 0.77 MEN1 (0.46) DHODHDHFRALKBH5FABP3FABP4
SCHEMBL8878856 0.77 GCGR (0.46) GCGRFABP3FABP4FABP5

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 3 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