SCHEMBL10442017

SCHEMBL10442017

CC(C)c1c(CCO[PH](=O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)nn1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 9/20 0.42

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
SCHEMBL6944860 0.95 HMGCR (0.42) HMGCR
SCHEMBL6944857 0.95 HMGCR (0.42) HMGCR
SCHEMBL10442265 0.84 HMGCR (0.60) HMGCR
SCHEMBL6944717 0.83 HMGCR (0.40) HMGCR
SCHEMBL6944721 0.83 HMGCR (0.40) HMGCR
SCHEMBL10637080 0.83 HMGCR (0.60) HMGCR
SCHEMBL9441787 0.81 PTGDR2 (0.33) HMGCR
SCHEMBL9441790 0.81 PTGDR2 (0.33) HMGCR
SCHEMBL6944852 0.80 HMGCR (0.41) HMGCR
SCHEMBL10442012 0.80 HMGCR (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401705-A2 Use of an HMG CoA reductase inhibitor and/or a squalene synthetase inhibitor for treating peripheral atherosclerotic disease E.R. Squibb & Sons, Inc. (US) 1990-12-12 EP disclosed