SCHEMBL10442012

SCHEMBL10442012

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

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 12/20 0.41
FABP4 P15090 2/20 0.38

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
SCHEMBL6944717 0.89 HMGCR (0.40) HMGCRFABP4
SCHEMBL6944721 0.89 HMGCR (0.40) HMGCRFABP4
SCHEMBL10442264 0.84 HMGCR (0.51) HMGCR
SCHEMBL6944933 0.80 HMGCR (0.41) HMGCR
SCHEMBL6944927 0.80 HMGCR (0.41) HMGCR
SCHEMBL10442017 0.80 HMGCR (0.42) HMGCR
SCHEMBL9745319 0.80 HMGCR (0.40) HMGCR
SCHEMBL6944714 0.80 HMGCR (0.40) HMGCR
SCHEMBL6944860 0.79 HMGCR (0.42) HMGCR
SCHEMBL6944857 0.79 HMGCR (0.42) 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