SCHEMBL8952916

SCHEMBL8952916

CC(C)c1c(C#CCO[PH](=O)C[C@H](CC(=O)O)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(-c2ccc(F)cc2)nc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.39
TACR3 P29371 4/20 0.33
SCN9A Q15858 1/20 0.32
PDE10A Q9Y233 2/20 0.31
DHODH Q02127 1/20 0.30

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
SCHEMBL8952919 1.00 HMGCR (0.39) HMGCRTACR3SCN9APDE10ADHODH
SCHEMBL8952837 0.87 NR4A2 (0.32) HMGCR
SCHEMBL8952841 0.87 NR4A2 (0.32) HMGCR
SCHEMBL8952868 0.86 FABP4 (0.31) HMGCR
SCHEMBL8952860 0.86 FABP4 (0.31) HMGCR
SCHEMBL8953145 0.86 HMGCR (0.49) HMGCR
SCHEMBL8953146 0.86 HMGCR (0.49) HMGCR
SCHEMBL8953026 0.85 HMGCR (0.31) HMGCR
SCHEMBL8952904 0.85 FABP4 (0.32) HMGCR
SCHEMBL8952912 0.85 FABP4 (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-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