SCHEMBL8877778

SCHEMBL8877778

C#CC(C(=O)Oc1c(C(C)C)nc2ccccc2c1-c1ccc(F)cc1)(C(C)O)[PH](=O)OC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.38
GCGR P47871 1/20 0.33
RXRA P19793 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8877856 0.91 HMGCR (0.37) HMGCRGCGRRXRAALDH1A1MAPT
SCHEMBL8899571 0.88 HMGCR (0.34) HMGCRGCGR
SCHEMBL8899623 0.88 HMGCR (0.34) HMGCRGCGR
SCHEMBL8901358 0.87 HMGCR (0.37) HMGCRGCGR
SCHEMBL8876699 0.85 GCGR (0.37) HMGCRGCGR
SCHEMBL8875951 0.85 HMGCR (0.53) HMGCR
SCHEMBL8878763 0.83 HMGCR (0.38) HMGCRGCGRRXRAALDH1A1MAPT
SCHEMBL8879106 0.81 PPARG (0.33)
SCHEMBL8877788 0.81 PRNP (0.32) HMGCR
SCHEMBL8908743 0.81 HMGCR (0.32) HMGCR

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-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