SCHEMBL8879918

SCHEMBL8879918

CC(C)c1nc(-c2ccccc2)c(C(C)C)c(-c2ccc(F)cc2)c1C#COC(=O)CC(O)C[PH](=O)O

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.37

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
SCHEMBL8877671 0.93
SCHEMBL8877479 0.93
SCHEMBL8876776 0.93 HMGCR (0.36) HMGCR
SCHEMBL8877485 0.92
SCHEMBL8878102 0.86 GCGR (0.36)
SCHEMBL8877280 0.86 ESR1 (0.37) HMGCR
SCHEMBL8877344 0.83 KDM4E (0.42)
SCHEMBL8952776 0.80 HMGCR (0.38) HMGCR
SCHEMBL8952771 0.80 HMGCR (0.38) HMGCR
SCHEMBL8901160 0.80 ALDH1A1 (0.37)

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 1 patent. 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