SCHEMBL8952672

SCHEMBL8952672

CC(C)c1c(C#CP(=O)(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.49

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
SCHEMBL8952665 1.00 HMGCR (0.49) HMGCR
SCHEMBL8953497 0.89
SCHEMBL8953516 0.89
SCHEMBL8952973 0.89 HMGCR (0.49) HMGCR
SCHEMBL8952988 0.89 HMGCR (0.49) HMGCR
SCHEMBL8952762 0.87
SCHEMBL8952747 0.87
SCHEMBL8952721 0.84
SCHEMBL8952738 0.84
SCHEMBL8952927 0.82

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
EP-0356788-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1990-03-07 EP claimed
US-5506219-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-04-09 US disclosed
EP-0356788-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1990-03-07 EP disclosed