SCHEMBL8876530

SCHEMBL8876530

C=CC(C(=O)Oc1c(CC)nc(-c2ccccc2)c(C)c1-c1ccc(F)cc1)(C(C)O)[PH](=O)O

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.34

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
SCHEMBL8900806 0.92 ADORA3 (0.33)
SCHEMBL8622348 0.88
SCHEMBL8876483 0.86 DHODH (0.35)
SCHEMBL8877571 0.85 PRKAA2 (0.35) HMGCR
SCHEMBL8876682 0.84
SCHEMBL8878850 0.84 GCGR (0.39) HMGCR
SCHEMBL8876805 0.79
SCHEMBL8876525 0.79 TP53 (0.34)
SCHEMBL8877566 0.78 HMGCR (0.40) HMGCR
SCHEMBL8876255 0.78 PRKAA2 (0.34) 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