SCHEMBL9870588

SCHEMBL9870588

CC(C)c1nc(C(C)C)c(C(=O)O)c(-c2ccc(F)cc2)c1/C=C/[C@H]1C[C@H](O)CC(=O)O1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 12/20 0.69

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
SCHEMBL9870592 1.00 HMGCR (0.69) HMGCR
SCHEMBL9872007 0.93 HMGCR (0.66) HMGCR
SCHEMBL10398500 0.92 HMGCR (0.77) HMGCR
SCHEMBL10468182 0.88 HMGCR (0.62) HMGCR
SCHEMBL9870214 0.88 HMGCR (0.62) HMGCR
SCHEMBL8571000 0.85 HMGCR (0.71) HMGCR
SCHEMBL8321853 0.85 HMGCR (0.71) HMGCR
SCHEMBL10661873 0.85 HMGCR (0.71) HMGCR
SCHEMBL6226685 0.84 HMGCR (0.67) HMGCR
SCHEMBL6226690 0.84 HMGCR (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4997837-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-05 US disclosed
US-4906624-A 6-(((Substituted)pyridin-3-yl)alkyl)-and alkenyl)-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1990-03-06 US disclosed
EP-0306929-A2 6-[[(Substituted)pyridin-3-YL]alkyl]-and alkenyl]-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1989-03-15 EP disclosed