SCHEMBL8878486

SCHEMBL8878486

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.44
HMGCR P04035 1/20 0.41
KDM5B Q9UGL1 1/20 0.39
PTGS2 P35354 1/20 0.38

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
SCHEMBL8878536 0.90 GCGR (0.46) GCGRHMGCRPTGS2
SCHEMBL8877859 0.89 GCGR (0.45) GCGRHMGCR
SCHEMBL8879706 0.88 GCGR (0.44) GCGRHMGCR
SCHEMBL8878254 0.85 GCGR (0.51) GCGRHMGCR
SCHEMBL8877472 0.84 GCGR (0.50) GCGRHMGCR
SCHEMBL8949603 0.81 GCGR (0.58) GCGR
SCHEMBL8879109 0.80 FABP3 (0.49) GCGR
SCHEMBL8321756 0.80 GCGR (0.46) GCGR
SCHEMBL9562922 0.80 HMGCR (0.56) GCGRHMGCR
SCHEMBL8950007 0.78 GCGR (0.46) GCGR

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